1-methyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]pyrimidine-5-carbonitrile

Systemtic Name: 1-methyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]pyrimidine-5-carbonitrile Openeye Name: 1-methyl-2,4-dioxo-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]pyrimidine-5-carbonitrile CAS Name: 1-methyl-2,4-dioxo-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-pyrimidinecarbonitrile IUPAC Name: 1-methyl-2,4-dioxo-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-3-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-1-methyl-pyrimidine-5-carbonitrile Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)CC(=O)N2CCC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)CC(=O)N2CCC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H15N5O3/c1-20-10-13(9-18)16(24)21(17(20)25)11-15(23)22-8-7-14(19-22)12-5-3-2-4-6-12/h2-6,10H,7-8,11H2,1H3