7-hexyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-hexyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-3-methyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N6O3/c1-4-5-6-7-12-26-16-17(25(3)20(29)22-18(16)28)21-19(26)24-23-13(2)14-8-10-15(27)11-9-14/h8-11,23H,4-7,12H2,1-3H3,(H,21,24)(H,22,28,29)