1-[4-(1,3-dimethyl-2-oxidanylidene-indol-3-yl)-2-methylidene-3-oxidanylidene-butyl]-3,9-dimethyl-purine-2,6-dione

Systemtic Name: 1-[4-(1,3-dimethyl-2-oxidanylidene-indol-3-yl)-2-methylidene-3-oxidanylidene-butyl]-3,9-dimethyl-purine-2,6-dione Openeye Name: 1-[4-(1,3-dimethyl-2-oxo-indolin-3-yl)-2-methylene-3-oxo-butyl]-3,9-dimethyl-purine-2,6-dione CAS Name: 1-[4-(1,3-dimethyl-2-oxo-3-indolyl)-2-methylene-3-oxobutyl]-3,9-dimethylpurine-2,6-dione IUPAC Name: 1-[4-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylidene-3-oxobutyl]-3,9-dimethylpurine-2,6-dione Traditional Name: 1-[2-[2-(2-keto-1,3-dimethyl-indolin-3-yl)acetyl]allyl]-3,9-dimethyl-xanthine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=O)C)CC(=O)C(=C)CN3C(=O)C4=C(N(C=N4)C)N(C3=O)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=O)C)CC(=O)C(=C)CN3C(=O)C4=C(N(C=N4)C)N(C3=O)C

InChI

InChI=1S/C22H23N5O4/c1-13(11-27-19(29)17-18(24(3)12-23-17)26(5)21(27)31)16(28)10-22(2)14-8-6-7-9-15(14)25(4)20(22)30/h6-9,12H,1,10-11H2,2-5H3