4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-chlorophenyl)benzamide

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-chlorophenyl)benzamide Openeye Name: N-(4-chlorophenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(4-chlorophenyl)-4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(4-chlorophenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-chlorophenyl)-4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzamide Formula: C18H16ClN5OS MolecularWeight: 385.87054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=CC(=N2)N)N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=CC(=N2)N)N)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN5OS/c19-13-5-7-14(8-6-13)22-17(25)12-3-1-11(2-4-12)10-26-18-23-15(20)9-16(21)24-18/h1-9H,10H2,(H,22,25)(H4,20,21,23,24)