8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-ethoxyethyl)-1,3-dimethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC4=CC=CC=C4C3

InChI

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