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

Systemtic Name: 4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)butanamide Openeye Name: N-(4-chlorophenyl)-4-(4,6-diaminopyrimidin-2-yl)sulfanyl-butanamide CAS Name: N-(4-chlorophenyl)-4-[(4,6-diamino-2-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-chlorophenyl)-4-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-(4-chlorophenyl)-4-[(4,6-diaminopyrimidin-2-yl)thio]butyramide Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCSC2=NC(=CC(=N2)N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCSC2=NC(=CC(=N2)N)N)Cl

InChI

InChI=1S/C14H16ClN5OS/c15-9-3-5-10(6-4-9)18-13(21)2-1-7-22-14-19-11(16)8-12(17)20-14/h3-6,8H,1-2,7H2,(H,18,21)(H4,16,17,19,20)