2-(3-imidazol-1-ylpropylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(3-imidazol-1-ylpropylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(1-imidazolyl)propylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(3-imidazol-1-ylpropylamino)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCCCN3C=CN=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCCCN3C=CN=C3)C#N

InChI

InChI=1S/C18H18N6O2/c1-26-14-5-3-13(4-6-14)16-15(11-19)17(25)23-18(22-16)21-7-2-9-24-10-8-20-12-24/h3-6,8,10,12H,2,7,9H2,1H3,(H2,21,22,23,25)