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

Systemtic Name: 3,7-dimethyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3,7-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)N(C2=O)CC=C)C

InChI

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