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

Systemtic Name: 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H19N5O3/c1-4-11-6-5-7-12-13(8-20-15(11)12)14(25)9-24-10-21-17-16(24)18(26)23(3)19(27)22(17)2/h5-8,10,20H,4,9H2,1-3H3