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

Systemtic Name: 3,7-dimethyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3,7-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-3,7-dimethyl-xanthine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=C

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=C

InChI

InChI=1S/C18H20N6O3/c1-5-10-24-16(26)14-15(23(4)18(24)27)19-17(22(14)3)21-20-11(2)12-6-8-13(25)9-7-12/h5-9,20H,1,10H2,2-4H3,(H,19,21)