6-(4-methoxyphenyl)-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]-1H-pyrimidine-5-carbonitrile Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C23H25N7O2/c1-29-9-11-30(12-10-29)20-8-3-16(14-25-20)15-26-23-27-21(19(13-24)22(31)28-23)17-4-6-18(32-2)7-5-17/h3-8,14H,9-12,15H2,1-2H3,(H2,26,27,28,31)