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

Systemtic Name: 8-chloranyl-7-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C19H18ClN5O3/c1-4-10-6-5-7-11-12(8-21-14(10)11)13(26)9-25-15-16(22-18(25)20)23(2)19(28)24(3)17(15)27/h5-8,21H,4,9H2,1-3H3