6-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1H-pyrimidine-5-carbonitrile Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CN1C=NN=C1CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C16H15N7O2/c1-23-9-19-22-13(23)8-18-16-20-14(12(7-17)15(24)21-16)10-3-5-11(25-2)6-4-10/h3-6,9H,8H2,1-2H3,(H2,18,20,21,24)