7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione

Systemtic Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione Openeye Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione CAS Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione IUPAC Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione Traditional Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-dimethyl-8-propoxy-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1CCCCN3CCC4=CC=CC=C4C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCOC1=NC2=C(N1CCCCN3CCC4=CC=CC=C4C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H31N5O3/c1-4-15-31-22-24-20-19(21(29)26(3)23(30)25(20)2)28(22)13-8-7-12-27-14-11-17-9-5-6-10-18(17)16-27/h5-6,9-10H,4,7-8,11-16H2,1-3H3