4-(6-piperazin-1-ylpyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-(6-piperazin-1-ylpyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-(6-piperazin-1-yl-3-pyridyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine CAS Name: 4-[6-(1-piperazinyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-(6-piperazin-1-ylpyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine Traditional Name: [4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CN=C(C=C3)N4CCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CN=C(C=C3)N4CCNCC4

InChI

InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)