8-(7,8-dimethoxy-1-oxidanylidene-phthalazin-2-yl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(7,8-dimethoxy-1-oxidanylidene-phthalazin-2-yl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(7,8-dimethoxy-1-oxo-phthalazin-2-yl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(7,8-dimethoxy-1-oxo-2-phthalazinyl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(7,8-dimethoxy-1-oxophthalazin-2-yl)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(1-keto-7,8-dimethoxy-phthalazin-2-yl)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C26H26N6O5 MolecularWeight: 502.52184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=O)C4=C(C=CC(=C4OC)OC)C=N3)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=O)C4=C(C=CC(=C4OC)OC)C=N3)CCCC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O5/c1-29-22-20(24(34)30(2)26(29)35)31(14-8-11-16-9-6-5-7-10-16)25(28-22)32-23(33)19-17(15-27-32)12-13-18(36-3)21(19)37-4/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3