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

Systemtic Name: 8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethoxymethyl)-1,3-dipropyl-9H-purine-2,6-dione Openeye Name: 7-(benzyloxymethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-2,6-dione CAS Name: 8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethoxymethyl)-1,3-dipropyl-9H-purine-2,6-dione IUPAC Name: 8-(4-oxocyclohexa-2,5-dien-1-ylidene)-7-(phenylmethoxymethyl)-1,3-dipropyl-9H-purine-2,6-dione Traditional Name: 7-(benzoxymethyl)-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-2,6-quinone Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=C3C=CC(=O)C=C3)N2)COCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=C3C=CC(=O)C=C3)N2)COCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c1-3-14-27-23-21(24(31)28(15-4-2)25(27)32)29(17-33-16-18-8-6-5-7-9-18)22(26-23)19-10-12-20(30)13-11-19/h5-13,26H,3-4,14-17H2,1-2H3