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

Systemtic Name: 1,3-bis(1-methoxyethyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis(1-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 1,3-bis(1-methoxyethyl)-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis(1-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 7-benzyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-bis(1-methoxyethyl)-9H-purine-2,6-quinone Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C(=O)N(C1=O)C(C)OC)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4)OC

Isomeric SMILES

CC(N1C2=C(C(=O)N(C1=O)C(C)OC)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H26N4O5/c1-15(32-3)27-22-20(23(30)28(24(27)31)16(2)33-4)26(14-17-8-6-5-7-9-17)21(25-22)18-10-12-19(29)13-11-18/h5-13,15-16,25H,14H2,1-4H3