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

Systemtic Name: 3-methyl-8-[2-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethylhydrazo]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[N'-[1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]-3-methyl-xanthine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NNC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

Isomeric SMILES

CC(=C1C=CC=CC1=O)NNC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H18N6O3/c1-4-9-23-13-14(22(3)17(26)19-15(13)25)18-16(23)21-20-10(2)11-7-5-6-8-12(11)24/h4-8,20H,1,9H2,2-3H3,(H,18,21)(H,19,25,26)