4-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 4-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 4-[[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-2,6-dioxo-3-phenyl-purin-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 4-[[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-2,6-dioxo-3-phenyl-1-purinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 4-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-2,6-dioxo-3-phenylpurin-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 4-[[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-phenyl-purin-1-yl]methyl]nicotinonitrile 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=C(C=NC=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=C(C=NC=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H26N8O2/c1-2-3-14-33-23-24(31-26(33)32-13-7-8-21(29)18-32)35(22-9-5-4-6-10-22)27(37)34(25(23)36)17-19-11-12-30-16-20(19)15-28/h4-6,9-12,16,21H,7-8,13-14,17-18,29H2,1H3/t21-/m1/s1