6-azanyl-1-(4-chlorophenyl)-2-oxidanylidene-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile

Systemtic Name: 6-azanyl-1-(4-chlorophenyl)-2-oxidanylidene-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile Openeye Name: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile CAS Name: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile IUPAC Name: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile Traditional Name: 6-amino-1-(4-chlorophenyl)-2-keto-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile Formula: C14H10ClN7O MolecularWeight: 327.7285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl

InChI

InChI=1S/C14H10ClN7O/c15-9-1-3-10(4-2-9)22-13(17)11(5-16)12(20-14(22)23)6-21-8-18-7-19-21/h1-4,7-8H,6,17H2