2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylbutyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylbutyl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(1-phenylbutyl)propionamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H23N5OS/c1-3-7-13(12-8-5-4-6-9-12)20-16(23)11(2)24-17-21-14(18)10-15(19)22-17/h4-6,8-11,13H,3,7H2,1-2H3,(H,20,23)(H4,18,19,21,22)