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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C18H16ClN5O3/c1-9-13(10-6-4-5-7-11(10)20-9)12(25)8-24-14-15(21-17(24)19)22(2)18(27)23(3)16(14)26/h4-7,20H,8H2,1-3H3