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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

InChI

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