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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-butanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]butyramide Formula: C15H18ClN5OS MolecularWeight: 351.85432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18ClN5OS/c1-3-11(23-15-20-12(17)7-13(18)21-15)14(22)19-9-5-4-8(2)10(16)6-9/h4-7,11H,3H2,1-2H3,(H,19,22)(H4,17,18,20,21)