6-(4-methoxyphenyl)-4-oxidanylidene-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]amino]-1H-pyrimidine-5-carbonitrile Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC=C(C=C3)CN4C=NC=N4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC=C(C=C3)CN4C=NC=N4)C#N

InChI

InChI=1S/C22H19N7O2/c1-31-18-8-6-17(7-9-18)20-19(10-23)21(30)28-22(27-20)25-11-15-2-4-16(5-3-15)12-29-14-24-13-26-29/h2-9,13-14H,11-12H2,1H3,(H2,25,27,28,30)