2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H22N6OS/c1-11-8-12(23-6-2-3-7-23)4-5-13(11)20-16(24)10-25-17-21-14(18)9-15(19)22-17/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,24)(H4,18,19,21,22)