1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-3,7-diisobutyl-purine-2,6-dione CAS Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-3,7-diisobutyl-xanthine Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C24H31N5O3/c1-16(2)12-26-15-25-22-21(26)23(31)29(24(32)28(22)13-17(3)4)14-20(30)27-11-7-9-18-8-5-6-10-19(18)27/h5-6,8,10,15-17H,7,9,11-14H2,1-4H3