3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-5-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-5-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-5-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-pyrimidinyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-5-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-[2-(homoveratrylamino)pyrimidin-5-yl]-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CN=C(N=C3)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CN=C(N=C3)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H24N6O3/c1-31-20-7-5-4-6-19(20)30-24(31)18(13-26)23(32)17-14-28-25(29-15-17)27-11-10-16-8-9-21(33-2)22(12-16)34-3/h4-9,12,14-15,18H,10-11H2,1-3H3,(H,27,28,29)