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

Systemtic Name: 1,3-dimethyl-7-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H21N5O3/c1-12-6-7-14-13(9-12)5-4-8-24(14)15(25)10-23-11-20-17-16(23)18(26)22(3)19(27)21(17)2/h6-7,9,11H,4-5,8,10H2,1-3H3