7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-9H-purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 3-isobutyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-7-(2-methoxyethyl)-9H-purine-2,6-quinone Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=C3C=CC(=O)C=C3)N2)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=C3C=CC(=O)C=C3)N2)CCOC

InChI

InChI=1S/C18H22N4O4/c1-11(2)10-22-16-14(17(24)20-18(22)25)21(8-9-26-3)15(19-16)12-4-6-13(23)7-5-12/h4-7,11,19H,8-10H2,1-3H3,(H,20,24,25)