3-butyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-propyl-9H-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-propyl-9H-purine-2,6-dione Openeye Name: 3-butyl-8-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-7-propyl-9H-purine-2,6-dione CAS Name: 3-butyl-8-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-7-propyl-9H-purine-2,6-dione IUPAC Name: 3-butyl-8-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-7-propyl-9H-purine-2,6-dione Traditional Name: 3-butyl-8-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-7-propyl-9H-purine-2,6-quinone Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=C3C=CC(=O)C(=C3)OC)N2)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=C3C=CC(=O)C(=C3)OC)N2)CCC

InChI

InChI=1S/C19H24N4O4/c1-4-6-10-23-17-15(18(25)21-19(23)26)22(9-5-2)16(20-17)12-7-8-13(24)14(11-12)27-3/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,25,26)