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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-3-methyl-1-p-anisyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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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(C=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O3/c1-4-5-13-28-19-20(25-22(28)27-12-6-7-17(24)15-27)26(2)23(31)29(21(19)30)14-16-8-10-18(32-3)11-9-16/h8-11,17H,6-7,12-15,24H2,1-3H3/t17-/m1/s1