2,3-dimethoxy-5-methyl-6-[[4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[[4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[4-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[4-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C27H30N4O5/c1-18-21(24(34)26(36-3)25(35-2)23(18)33)17-20-7-5-19(6-8-20)9-10-22(32)30-13-15-31(16-14-30)27-28-11-4-12-29-27/h4-8,11-12H,9-10,13-17H2,1-3H3