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

Systemtic Name: 3-methyl-8-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-pentyl-purine-2,6-dione Openeye Name: 8-[2-[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[N'-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NNC=C3C=CC(=O)C=C3O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NN/C=C/3\C=CC(=O)C=C3O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O4/c1-3-4-5-8-24-14-15(23(2)18(28)21-16(14)27)20-17(24)22-19-10-11-6-7-12(25)9-13(11)26/h6-7,9-10,19,26H,3-5,8H2,1-2H3,(H,20,22)(H,21,27,28)/b11-10+