5-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-1-yl]methyl]pyridine-2-carbonitrile

Systemtic Name: 5-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-1-yl]methyl]pyridine-2-carbonitrile Openeye Name: 5-[[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-2,6-dioxo-3-phenyl-purin-1-yl]methyl]pyridine-2-carbonitrile CAS Name: 5-[[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-2,6-dioxo-3-phenyl-1-purinyl]methyl]-2-pyridinecarbonitrile IUPAC Name: 5-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-2,6-dioxo-3-phenylpurin-1-yl]methyl]pyridine-2-carbonitrile Traditional Name: 5-[[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-phenyl-purin-1-yl]methyl]picolinonitrile Formula: C27H26N8O2 MolecularWeight: 494.54774

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CN=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N8O2/c1-2-3-14-33-23-24(31-26(33)32-13-7-8-20(29)18-32)35(22-9-5-4-6-10-22)27(37)34(25(23)36)17-19-11-12-21(15-28)30-16-19/h4-6,9-12,16,20H,7-8,13-14,17-18,29H2,1H3/t20-/m1/s1