ethyl (4S)-6-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN(C)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN(C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-3-27-19(25)17-15(12-24(2)11-14-9-10-16(21)28-14)22-20(26)23-18(17)13-7-5-4-6-8-13/h4-10,18H,3,11-12H2,1-2H3,(H2,22,23,26)/t18-/m0/s1