6-(4-methoxyphenyl)-4-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-[(2-pyrrolidin-1-yl-4-pyridyl)methylamino]-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[(2-pyrrolidino-4-pyridyl)methylamino]-1H-pyrimidine-5-carbonitrile Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC(=NC=C3)N4CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC(=NC=C3)N4CCCC4)C#N

InChI

InChI=1S/C22H22N6O2/c1-30-17-6-4-16(5-7-17)20-18(13-23)21(29)27-22(26-20)25-14-15-8-9-24-19(12-15)28-10-2-3-11-28/h4-9,12H,2-3,10-11,14H2,1H3,(H2,25,26,27,29)