2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7OS/c1-13-14(2)28(11-15-6-4-3-5-7-15)20(17(13)9-23)26-18(29)12-30-21-25-10-16(8-22)19(24)27-21/h3-7,10H,11-12H2,1-2H3,(H,26,29)(H2,24,25,27)