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

Systemtic Name: 7-(2-methoxyethyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 3-benzyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-7-(2-methoxyethyl)-9H-purine-2,6-quinone Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(NC1=C3C=CC(=O)C=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(NC1=C3C=CC(=O)C=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-29-12-11-24-17-19(22-18(24)15-7-9-16(26)10-8-15)25(21(28)23-20(17)27)13-14-5-3-2-4-6-14/h2-10,22H,11-13H2,1H3,(H,23,27,28)