(2,3-dimethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (2,3-dimethoxyphenyl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-28-17-7-5-6-16(20(17)29-2)21(27)26-12-10-25(11-13-26)19-14-18(22-15-23-19)24-8-3-4-9-24/h5-7,14-15H,3-4,8-13H2,1-2H3