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

Systemtic Name: 8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-7-(tetrahydrofuran-2-ylmethyl)-9H-purine-2,6-dione CAS Name: 8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(2-oxolanylmethyl)-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-7-(oxolan-2-ylmethyl)-9H-purine-2,6-dione Traditional Name: 3-benzyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-7-(tetrahydrofurfuryl)-9H-purine-2,6-quinone Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(NC2=C4C=CC(=O)C=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C3=C(NC2=C4C=CC(=O)C=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O4/c28-17-10-8-16(9-11-17)20-24-21-19(26(20)14-18-7-4-12-31-18)22(29)25-23(30)27(21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18,24H,4,7,12-14H2,(H,25,29,30)