1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrolidine-2,5-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione Traditional Name: 1-homoveratryl-3-[4-(2-pyrimidyl)piperazino]pyrrolidine-2,5-quinone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C22H27N5O4/c1-30-18-5-4-16(14-19(18)31-2)6-9-27-20(28)15-17(21(27)29)25-10-12-26(13-11-25)22-23-7-3-8-24-22/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3