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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N6O3/c1-3-4-5-6-9-12-26-16-17(25(2)20(29)23-18(16)28)22-19(26)24-21-13-14-10-7-8-11-15(14)27/h7-8,10-11,13,21H,3-6,9,12H2,1-2H3,(H,22,24)(H,23,28,29)