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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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