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

Systemtic Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-8-ethoxy-1,3-dimethyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CCCN3CCC4=CC=CC=C4C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC1=NC2=C(N1CCCN3CCC4=CC=CC=C4C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H27N5O3/c1-4-29-20-22-18-17(19(27)24(3)21(28)23(18)2)26(20)12-7-11-25-13-10-15-8-5-6-9-16(15)14-25/h5-6,8-9H,4,7,10-14H2,1-3H3