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

Systemtic Name: 7-(2-methoxyethyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-propyl-9H-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-3-propyl-9H-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-propyl-9H-purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-3-propyl-9H-purine-2,6-dione Traditional Name: 8-(4-ketocyclohexa-2,5-dien-1-ylidene)-7-(2-methoxyethyl)-3-propyl-9H-purine-2,6-quinone Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=C3C=CC(=O)C=C3)N2)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=C3C=CC(=O)C=C3)N2)CCOC

InChI

InChI=1S/C17H20N4O4/c1-3-8-21-15-13(16(23)19-17(21)24)20(9-10-25-2)14(18-15)11-4-6-12(22)7-5-11/h4-7,18H,3,8-10H2,1-2H3,(H,19,23,24)