3-phenylpropyl (6R)-3,4-dimethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl (6R)-3,4-dimethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl (6R)-3,4-dimethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (6R)-3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-2-keto-3,4-dimethyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CSC=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C)C2=CSC=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-14-17(18(16-10-12-26-13-16)21-20(24)22(14)2)19(23)25-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-13,18H,6,9,11H2,1-2H3,(H,21,24)/t18-/m0/s1