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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(2,3-dimethylquinoxalin-6-yl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[(2,3-dimethylquinoxalin-6-yl)methyl]-3-phenyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[(2,3-dimethyl-6-quinoxalinyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[(2,3-dimethylquinoxalin-6-yl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[(2,3-dimethylquinoxalin-6-yl)methyl]-3-phenyl-xanthine Formula: C31H32N8O2 MolecularWeight: 548.63818

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC5=C(C=C4)N=C(C(=N5)C)C)C6=CC=CC=C6

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=CC5=C(C=C4)N=C(C(=N5)C)C)C6=CC=CC=C6

InChI

InChI=1S/C31H32N8O2/c1-4-5-16-37-27-28(35-30(37)36-15-9-10-23(32)19-36)39(24-11-7-6-8-12-24)31(41)38(29(27)40)18-22-13-14-25-26(17-22)34-21(3)20(2)33-25/h6-8,11-14,17,23H,9-10,15-16,18-19,32H2,1-3H3/t23-/m1/s1