3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione

Systemtic Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione Openeye Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxo-hexyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione CAS Name: 3-[6-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-oxohexyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione IUPAC Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[6-[4-(2,5-dimethylphenyl)piperazino]-6-keto-hexyl]-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C28H36N4O5/c1-19-9-10-20(2)23(16-19)30-12-14-31(15-13-30)26(33)8-6-5-7-11-32-27(34)21-17-24(36-3)25(37-4)18-22(21)29-28(32)35/h9-10,16-18H,5-8,11-15H2,1-4H3,(H,29,35)