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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16ClN5OS/c1-8-9(15)3-2-4-10(8)18-13(21)5-6-22-14-19-11(16)7-12(17)20-14/h2-4,7H,5-6H2,1H3,(H,18,21)(H4,16,17,19,20)