(8E)-1-methyl-3-(2-methylpropyl)-8-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurine-2,6-dione

Systemtic Name: (8E)-1-methyl-3-(2-methylpropyl)-8-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurine-2,6-dione Openeye Name: (8E)-3-isobutyl-1-methyl-8-(6-oxocyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurine-2,6-dione CAS Name: (8E)-1-methyl-3-(2-methylpropyl)-8-(6-oxo-1-cyclohexa-2,4-dienylidene)-7,9-dihydropurine-2,6-dione IUPAC Name: (8E)-1-methyl-3-(2-methylpropyl)-8-(6-oxocyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurine-2,6-dione Traditional Name: (8E)-3-isobutyl-8-(6-ketocyclohexa-2,4-dien-1-ylidene)-1-methyl-7,9-dihydropurine-2,6-quinone Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=C3C=CC=CC3=O)N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N/C(=C\3/C=CC=CC3=O)/N2

InChI

InChI=1S/C16H18N4O3/c1-9(2)8-20-14-12(15(22)19(3)16(20)23)17-13(18-14)10-6-4-5-7-11(10)21/h4-7,9,17-18H,8H2,1-3H3/b13-10+