N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3,5-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(=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

InChI

InChI=1S/C21H28N6O3/c1-29-17-11-16(12-18(13-17)30-2)24-21(28)27-9-7-26(8-10-27)20-14-19(22-15-23-20)25-5-3-4-6-25/h11-15H,3-10H2,1-2H3,(H,24,28)