1,3-dimethyl-7-[2-oxidanylidene-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]-1,3-dimethyl-xanthine Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C4=C(CCCC4)C5=CC=CC=C53

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C4=C(CCCC4)C5=CC=CC=C53

InChI

InChI=1S/C21H21N5O3/c1-23-19-18(20(28)24(2)21(23)29)25(12-22-19)11-17(27)26-15-9-5-3-7-13(15)14-8-4-6-10-16(14)26/h3,5,7,9,12H,4,6,8,10-11H2,1-2H3