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

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-N-phenyl-benzamide Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c19-15-10-16(20)23-18(22-15)25-11-12-6-8-13(9-7-12)17(24)21-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,24)(H4,19,20,22,23)