8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C24H26N6O6 MolecularWeight: 494.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C)C=CC1=O

InChI

InChI=1S/C24H26N6O6/c1-3-35-19-11-15(9-10-18(19)32)12-25-28-23-26-21-20(22(33)27-24(34)29(21)2)30(23)13-16(31)14-36-17-7-5-4-6-8-17/h4-12,16,25,31H,3,13-14H2,1-2H3,(H,26,28)(H,27,33,34)