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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-cyclopropyl-1-(1,5-naphthyridin-2-ylmethyl)purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-cyclopropyl-1-(1,5-naphthyridin-2-ylmethyl)purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-cyclopropyl-1-(1,5-naphthyridin-2-ylmethyl)purine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-cyclopropyl-1-(1,5-naphthyridin-2-ylmethyl)purine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-3-cyclopropyl-1-(1,5-naphthyridin-2-ylmethyl)xanthine Formula: C26H28N8O2 MolecularWeight: 484.55292

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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)C6CC6

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)C6CC6

InChI

InChI=1S/C26H28N8O2/c1-2-3-14-32-22-23(30-25(32)31-13-5-6-17(27)15-31)34(19-9-10-19)26(36)33(24(22)35)16-18-8-11-20-21(29-18)7-4-12-28-20/h4,7-8,11-12,17,19H,5-6,9-10,13-16,27H2,1H3/t17-/m1/s1