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

Systemtic Name: 7-(2-methylpropyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 7-(2-methylpropyl)-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-quinone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(NC1=C3C=CC(=O)C=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(NC1=C3C=CC(=O)C=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-14(2)12-25-18-20(23-19(25)16-8-10-17(27)11-9-16)26(22(29)24-21(18)28)13-15-6-4-3-5-7-15/h3-11,14,23H,12-13H2,1-2H3,(H,24,28,29)