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

Systemtic Name: 1,3-dimethyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-1,3-dimethyl-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H22N6O3/c1-10(2)24-14-15(22(4)18(27)23(5)16(14)26)19-17(24)21-20-11(3)12-6-8-13(25)9-7-12/h6-10,20H,1-5H3,(H,19,21)