3-methyl-7-nonyl-8-[2-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-nonyl-8-[2-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 8-[2-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[N'-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-nonyl-xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NNC=C3C=CC(=O)C=C3O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1NNC=C3C=CC(=O)C=C3O)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O4/c1-3-4-5-6-7-8-9-12-28-18-19(27(2)22(32)25-20(18)31)24-21(28)26-23-14-15-10-11-16(29)13-17(15)30/h10-11,13-14,23,30H,3-9,12H2,1-2H3,(H,24,26)(H,25,31,32)