2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H15N7OS MolecularWeight: 317.3695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7OS/c1-6-7(2)17-12(8(6)4-14)20-11(21)5-22-13-18-9(15)3-10(16)19-13/h3,17H,5H2,1-2H3,(H,20,21)(H4,15,16,18,19)