8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(6-methoxyquinolin-2-yl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(6-methoxyquinolin-2-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-[(6-methoxy-2-quinolyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-[(6-methoxy-2-quinolinyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(6-methoxyquinolin-2-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1-[(6-methoxy-2-quinolyl)methyl]-3-methyl-xanthine Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)C=C(C=C5)OC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)C=C(C=C5)OC)C

InChI

InChI=1S/C26H29N7O3/c1-4-5-13-32-22-23(29-25(32)31-12-6-7-18(27)15-31)30(2)26(35)33(24(22)34)16-19-9-8-17-14-20(36-3)10-11-21(17)28-19/h8-11,14,18H,6-7,12-13,15-16,27H2,1-3H3