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

Systemtic Name: 8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[2-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[N'-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC2=NC3=C(N2C)C(=O)NC(=O)N3C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC2=NC3=C(N2C)C(=O)NC(=O)N3C)C=CC1=O

InChI

InChI=1S/C16H18N6O4/c1-4-26-11-7-9(5-6-10(11)23)8-17-20-15-18-13-12(21(15)2)14(24)19-16(25)22(13)3/h5-8,17H,4H2,1-3H3,(H,18,20)(H,19,24,25)