2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-phenylphenyl)ethanamide

Systemtic Name: 2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide CAS Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide Traditional Name: 2-[(5,6-diamino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-phenylphenyl)acetamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC(=O)C(=C(N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC(=O)C(=C(N3)N)N

InChI

InChI=1S/C18H17N5O2S/c19-15-16(20)22-18(23-17(15)25)26-10-14(24)21-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10,19H2,(H,21,24)(H3,20,22,23,25)