8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-fluoranylnaphthalen-1-yl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-fluoranylnaphthalen-1-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[(4-fluoro-1-naphthyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[(4-fluoro-1-naphthalenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[(4-fluoronaphthalen-1-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[(4-fluoro-1-naphthyl)methyl]-3-methyl-xanthine Formula: C26H27FN6O2 MolecularWeight: 474.529983

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC=C(C5=CC=CC=C45)F)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=CC=C(C5=CC=CC=C45)F)C

InChI

InChI=1S/C26H27FN6O2/c1-3-4-14-32-22-23(29-25(32)31-13-7-8-18(28)16-31)30(2)26(35)33(24(22)34)15-17-11-12-21(27)20-10-6-5-9-19(17)20/h5-6,9-12,18H,7-8,13-16,28H2,1-2H3/t18-/m1/s1