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

Systemtic Name: 3,7-dimethyl-1-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C20H25N5O2/c1-14-7-8-16-15(12-14)6-4-9-24(16)10-5-11-25-19(26)17-18(21-13-22(17)2)23(3)20(25)27/h7-8,12-13H,4-6,9-11H2,1-3H3