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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2S/c1-11-13(9-20)18(22-14(11)7-12-5-3-2-4-6-12)24-17(27)10-28-19-23-15(21)8-16(26)25-19/h2-6,8,22H,7,10H2,1H3,(H,24,27)(H3,21,23,25,26)