2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylphenyl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-phenylphenyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-phenylphenyl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(4-phenylphenyl)ethanone Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4OS/c19-16-10-17(20)22-18(21-16)24-11-15(23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10H,11H2,(H4,19,20,21,22)