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

Systemtic Name: (8Z)-8-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-butyl-7-ethyl-9H-purine-2,6-dione Openeye Name: (8Z)-8-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-butyl-7-ethyl-9H-purine-2,6-dione CAS Name: (8Z)-8-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-butyl-7-ethyl-9H-purine-2,6-dione IUPAC Name: (8Z)-8-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-butyl-7-ethyl-9H-purine-2,6-dione Traditional Name: (8Z)-8-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)-3-butyl-7-ethyl-9H-purine-2,6-quinone Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(/C(=C\3/C=C(C(=O)C(=C3)Br)OC)/N2)CC

InChI

InChI=1S/C18H21BrN4O4/c1-4-6-7-23-16-13(17(25)21-18(23)26)22(5-2)15(20-16)10-8-11(19)14(24)12(9-10)27-3/h8-9,20H,4-7H2,1-3H3,(H,21,25,26)/b15-10+