2-[4-oxidanylidene-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]-1-phenyl-guanidine

Systemtic Name: 2-[4-oxidanylidene-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]-1-phenyl-guanidine Openeye Name: 2-[4-oxo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]-1-phenyl-guanidine CAS Name: 2-[4-oxo-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-2-yl]-1-phenylguanidine IUPAC Name: 2-[4-oxo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]-1-phenylguanidine Traditional Name: 2-[4-keto-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-2-yl]-1-phenyl-guanidine Formula: C19H17N9OS MolecularWeight: 419.46298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4)/N

InChI

InChI=1S/C19H17N9OS/c20-17(21-13-7-3-1-4-8-13)24-18-22-14(11-16(29)23-18)12-30-19-25-26-27-28(19)15-9-5-2-6-10-15/h1-11H,12H2,(H4,20,21,22,23,24,29)