8-[2-azanylethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(3-methylisoquinolin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 8-[2-azanylethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(3-methylisoquinolin-1-yl)methyl]purine-2,6-dione Openeye Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(3-methyl-1-isoquinolyl)methyl]purine-2,6-dione CAS Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(3-methyl-1-isoquinolinyl)methyl]purine-2,6-dione IUPAC Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(3-methylisoquinolin-1-yl)methyl]purine-2,6-dione Traditional Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(3-methyl-1-isoquinolyl)methyl]xanthine Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N(C)CCN)N(C(=O)N(C2=O)CC3=NC(=CC4=CC=CC=C43)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N(C)CCN)N(C(=O)N(C2=O)CC3=NC(=CC4=CC=CC=C43)C)C

InChI

InChI=1S/C24H27N7O2/c1-5-6-12-30-20-21(27-23(30)28(3)13-11-25)29(4)24(33)31(22(20)32)15-19-18-10-8-7-9-17(18)14-16(2)26-19/h7-10,14H,11-13,15,25H2,1-4H3