8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-3-phenyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-3-phenylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-3-phenyl-xanthine Formula: C29H28N8O2 MolecularWeight: 520.58502

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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)N=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)N=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N8O2/c1-2-3-17-35-25-26(33-28(35)34-16-8-9-20(30)18-34)37(22-10-5-4-6-11-22)29(39)36(27(25)38)19-21-13-14-23-24(32-21)12-7-15-31-23/h4-7,10-15,20H,8-9,16-19,30H2,1H3/t20-/m1/s1