(4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(N(C(=C2)C#N)C)C)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=C(N(C(=C2)C#N)C)C)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H21N5O2S/c1-11-17(19(26)23-15-7-5-6-8-16(15)27-4)18(24-20(28)22-11)14-9-13(10-21)25(3)12(14)2/h5-9,18H,1-4H3,(H,23,26)(H2,22,24,28)/t18-/m0/s1