2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-3-methyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-3-methyl-N-(phenylmethyl)butanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-benzyl-3-methyl-butanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-3-methyl-N-(phenylmethyl)butanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-benzyl-3-methylbutanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-benzyl-3-methyl-butyramide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=C1)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H19N5OS/c1-11(2)14(16(23)20-9-12-6-4-3-5-7-12)24-17-21-10-13(8-18)15(19)22-17/h3-7,10-11,14H,9H2,1-2H3,(H,20,23)(H2,19,21,22)