8-chloranyl-1,3-dimethyl-7-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(1-methylpyrrol-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C14H14ClN5O3 MolecularWeight: 335.74566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CN1C=CC=C1C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H14ClN5O3/c1-17-6-4-5-8(17)9(21)7-20-10-11(16-13(20)15)18(2)14(23)19(3)12(10)22/h4-6H,7H2,1-3H3