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

Systemtic Name: 3-methyl-7-octyl-8-[2-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-octyl-xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NN/C=C/3\C=CC=CC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O3/c1-3-4-5-6-7-10-13-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-14-15-11-8-9-12-16(15)28/h8-9,11-12,14,22H,3-7,10,13H2,1-2H3,(H,23,25)(H,24,29,30)/b15-14+