2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6OS/c1-12-8-14(24-6-2-3-7-24)4-5-15(12)22-16(25)11-26-18-21-10-13(9-19)17(20)23-18/h4-5,8,10H,2-3,6-7,11H2,1H3,(H,22,25)(H2,20,21,23)