N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=CC(=O)N2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=CC(=O)N2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O3S/c1-12-14(10-21)19(22-15(12)8-13-6-4-3-5-7-13)23-17(27)11-29-20-24-16(26)9-18(25-20)28-2/h3-7,9,22H,8,11H2,1-2H3,(H,23,27)(H,24,25,26)