6,7-dimethoxy-3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 6,7-dimethoxy-3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 6,7-dimethoxy-3-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione CAS Name: 6,7-dimethoxy-3-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-1H-quinazoline-2,4-dione IUPAC Name: 6,7-dimethoxy-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C22H25N5O5/c1-31-17-13-15-16(14-18(17)32-2)24-22(30)27(21(15)29)8-6-20(28)26-11-9-25(10-12-26)19-5-3-4-7-23-19/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,24,30)