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

Systemtic Name: 7-hexyl-3-methyl-8-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-8-[2-[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-8-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-3-methylpurine-2,6-dione IUPAC Name: 7-hexyl-8-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-hexyl-8-[N'-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NNC=C3C=CC(=O)C=C3O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NN/C=C/3\C=CC(=O)C=C3O)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H24N6O4/c1-3-4-5-6-9-25-15-16(24(2)19(29)22-17(15)28)21-18(25)23-20-11-12-7-8-13(26)10-14(12)27/h7-8,10-11,20,27H,3-6,9H2,1-2H3,(H,21,23)(H,22,28,29)/b12-11+