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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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