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

Systemtic Name: 1-ethyl-3,7-dimethyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 1-ethyl-3,7-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethyl-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 1-ethyl-3,7-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 1-ethyl-8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)NNC=C3C=CC(=O)C=C3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)NNC=C3C=CC(=O)C=C3)N(C1=O)C

InChI

InChI=1S/C16H18N6O3/c1-4-22-14(24)12-13(21(3)16(22)25)18-15(20(12)2)19-17-9-10-5-7-11(23)8-6-10/h5-9,17H,4H2,1-3H3,(H,18,19)