4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-oxo-N-phenyl-butanamide CAS Name: 4-[(4,6-diamino-2-pyrimidinyl)thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-oxo-N-phenylbutanamide Traditional Name: 4-[(4,6-diaminopyrimidin-2-yl)thio]-3-keto-N-phenyl-butyramide Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H15N5O2S/c15-11-7-12(16)19-14(18-11)22-8-10(20)6-13(21)17-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,17,21)(H4,15,16,18,19)