7-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-propyl-xanthine Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C25H33N5O5/c1-5-7-10-28-16-26-23-22(28)24(32)30(25(33)29(23)9-6-2)15-21(31)27-11-8-17-12-19(34-3)20(35-4)13-18(17)14-27/h12-13,16H,5-11,14-15H2,1-4H3