CAS RN: 328-13-2
CAS Name: 1-[4-methyl-3-(1-oxohexadecyl)-1-imidazolidinyl]-1-hexadecanone
OPENEYE Name: 1-(3-hexadecanoyl-4-methyl-imidazolidin-1-yl)hexadecan-1-one
IUPAC Name: 1-(3-hexadecanoyl-4-methylimidazolidin-1-yl)hexadecan-1-one
SYSTEMATIC NAME: 1-(3-hexadecanoyl-4-methyl-imidazolidin-1-yl)hexadecan-1-one
MOLECULAR FORMULA: C36H70N2O2
MOLECULAR WEIGHT: 562.9532
SMILES: CCCCCCCCCCCCCCCC(=O)N1CC(N(C1)C(=O)CCCCCCCCCCCCCCC)C
Structure:
CAS RN: 32812-51-4
CAS Name: 1-[3-(1-oxohexadecyl)-1-imidazolidinyl]-1-hexadecanone
OPENEYE Name: 1-(3-hexadecanoylimidazolidin-1-yl)hexadecan-1-one
IUPAC Name: 1-(3-hexadecanoylimidazolidin-1-yl)hexadecan-1-one
SYSTEMATIC NAME: 1-(3-hexadecanoylimidazolidin-1-yl)hexadecan-1-one
MOLECULAR FORMULA: C35H68N2O2
MOLECULAR WEIGHT: 548.92662
SMILES: CCCCCCCCCCCCCCCC(=O)N1CCN(C1)C(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 40430-00-0
CAS Name: 3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
OPENEYE Name: 3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
IUPAC Name: 3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
SYSTEMATIC NAME: 3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: C1CCCCNC(=O)C2=CC=CC(=C2)C(=O)NCCC1
Structure:
CAS RN: 20116-64-7
CAS Name: phthalazine-1,4-dione
OPENEYE Name: phthalazine-1,4-dione
IUPAC Name: phthalazine-1,4-dione
SYSTEMATIC NAME: phthalazine-1,4-dione
MOLECULAR FORMULA: C8H4N2O2
MOLECULAR WEIGHT: 160.12956
SMILES: C1=CC=C2C(=C1)C(=O)N=NC2=O
Structure:
CAS RN: 431-63-0
CAS Name: 1,8-diazacyclotetradecane-2,7-dione
OPENEYE Name: 1,8-diazacyclotetradecane-2,7-dione
IUPAC Name: 1,8-diazacyclotetradecane-2,7-dione
SYSTEMATIC NAME: 1,8-diazacyclotetradecane-2,7-dione
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: C1CCCNC(=O)CCCCC(=O)NCC1
Structure:
CAS RN: 40680-63-5
CAS Name: 1-[(2,6-dichlorophenyl)methyl]-N3,N5-dimethyl-4H-pyridine-3,5-dicarboxamide
OPENEYE Name: 1-[(2,6-dichlorophenyl)methyl]-N3,N5-dimethyl-4H-pyridine-3,5-dicarboxamide
IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]-3-N,5-N-dimethyl-4H-pyridine-3,5-dicarboxamide
SYSTEMATIC NAME: 1-[[2,6-bis(chloranyl)phenyl]methyl]-N3,N5-dimethyl-4H-pyridine-3,5-dicarboxamide
MOLECULAR FORMULA: C16H17Cl2N3O2
MOLECULAR WEIGHT: 354.23108
SMILES: CNC(=O)C1=CN(C=C(C1)C(=O)NC)CC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 32742-88-4
CAS Name: (1,2,3,4-tetraphenyl-5-bicyclo[2.2.1]hept-2-enyl)methanamine
OPENEYE Name: (1,2,3,4-tetraphenyl-5-bicyclo[2.2.1]hept-2-enyl)methanamine
IUPAC Name: (1,2,3,4-tetraphenyl-5-bicyclo[2.2.1]hept-2-enyl)methanamine
SYSTEMATIC NAME: (1,2,3,4-tetraphenyl-5-bicyclo[2.2.1]hept-2-enyl)methanamine
MOLECULAR FORMULA: C32H29N
MOLECULAR WEIGHT: 427.57936
SMILES: C1C(C2(CC1(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)CN
Structure:
CAS RN: 16220-07-8
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H12N4O5
MOLECULAR WEIGHT: 268.22608
SMILES: C1=C2C(=NC=NC2=O)N(N1)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 50619-40-4
CAS Name: 2-amino-9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]-3H-purin-6-one
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: C1C(C(C(C1N2C=NC3=C2NC(=NC3=O)N)O)O)CO
Structure:
CAS RN: 34409-15-9
CAS Name: butanoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-bis(1-oxobutoxy)-2-oxolanyl]methyl ester
OPENEYE Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-di(butanoyloxy)tetrahydrofuran-2-yl]methyl butanoate
IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate
SYSTEMATIC NAME: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate
MOLECULAR FORMULA: C21H31N3O8
MOLECULAR WEIGHT: 453.48614
SMILES: CCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)CCC)OC(=O)CCC
Structure:
CAS RN: 30762-06-2
CAS Name: 4-(2-phenylethoxy)benzoic acid
OPENEYE Name: 4-(2-phenylethoxy)benzoic acid
IUPAC Name: 4-(2-phenylethoxy)benzoic acid
SYSTEMATIC NAME: 4-(2-phenylethoxy)benzoic acid
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 49799-48-6
CAS Name: 1,5-dihydro-1,5-benzodiazepine-2,4-dione
OPENEYE Name: 1,5-dihydro-1,5-benzodiazepine-2,4-dione
IUPAC Name: 1,5-dihydro-1,5-benzodiazepine-2,4-dione
SYSTEMATIC NAME: 1,5-dihydro-1,5-benzodiazepine-2,4-dione
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1C(=O)NC2=CC=CC=C2NC1=O
Structure:
CAS RN: 67385-12-0
CAS Name: 1-(3-methyl-2-quinolinyl)ethanone
OPENEYE Name: 1-(3-methyl-2-quinolyl)ethanone
IUPAC Name: 1-(3-methylquinolin-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-methylquinolin-2-yl)ethanone
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CC1=CC2=CC=CC=C2N=C1C(=O)C
Structure:
CAS RN: 28414-91-7
CAS Name: 1,6,6-triphenylhexylbenzene
OPENEYE Name: 1,6,6-triphenylhexylbenzene
IUPAC Name: 1,6,6-triphenylhexylbenzene
SYSTEMATIC NAME: 1,6,6-triphenylhexylbenzene
MOLECULAR FORMULA: C30H30
MOLECULAR WEIGHT: 390.5592
SMILES: C1=CC=C(C=C1)C(CCCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
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