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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(2-methylindolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C18H18ClN5O3/c1-10-8-11-6-4-5-7-12(11)24(10)13(25)9-23-14-15(20-17(23)19)21(2)18(27)22(3)16(14)26/h4-7,10H,8-9H2,1-3H3