N-(2,3-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(2,3-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(2,3-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(2,3-dimethoxyphenyl)-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(2,3-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(2,3-dimethoxyphenyl)-4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C21H28N6O3/c1-29-17-7-5-6-16(20(17)30-2)24-21(28)27-12-10-26(11-13-27)19-14-18(22-15-23-19)25-8-3-4-9-25/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,24,28)