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

Systemtic Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-ethoxy-1,3-dimethyl-xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CCCCN3CCC4=CC=CC=C4C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC1=NC2=C(N1CCCCN3CCC4=CC=CC=C4C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H29N5O3/c1-4-30-21-23-19-18(20(28)25(3)22(29)24(19)2)27(21)13-8-7-12-26-14-11-16-9-5-6-10-17(16)15-26/h5-6,9-10H,4,7-8,11-15H2,1-3H3