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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[(4,6-dimethyl-2-pyrimidinyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-methyl-xanthine Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC(=CC(=N4)C)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC(=CC(=N4)C)C)C

InChI

InChI=1S/C22H28N8O2/c1-5-6-10-29-18-19(26-21(29)28-9-7-8-16(23)12-28)27(4)22(32)30(20(18)31)13-17-24-14(2)11-15(3)25-17/h11,16H,7-10,12-13,23H2,1-4H3/t16-/m1/s1