4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(5-chloranyl-2-methyl-phenyl)benzamide

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(5-chloranyl-2-methyl-phenyl)benzamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(5-chloro-2-methylphenyl)-4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzamide Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H18ClN5OS/c1-11-2-7-14(20)8-15(11)23-18(26)13-5-3-12(4-6-13)10-27-19-24-16(21)9-17(22)25-19/h2-9H,10H2,1H3,(H,23,26)(H4,21,22,24,25)