1,3-dimethyl-7-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxidanylidene-butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxidanylidene-butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-(2-methylindolin-1-yl)-4-oxo-butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-(2-methylindolin-1-yl)butyl]-1,3-dimethyl-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H23N5O3/c1-13-11-14-7-4-5-8-15(14)25(13)16(26)9-6-10-24-12-21-18-17(24)19(27)23(3)20(28)22(18)2/h4-5,7-8,12-13H,6,9-11H2,1-3H3