2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-cyanophenyl)ethanamide

Systemtic Name: 2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]-N-(4-cyanophenyl)acetamide Formula: C24H26N8O3 MolecularWeight: 474.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C24H26N8O3/c1-3-4-12-31-20-21(28-23(31)30-11-5-6-17(26)14-30)29(2)24(35)32(22(20)34)15-19(33)27-18-9-7-16(13-25)8-10-18/h7-10,17H,5-6,11-12,14-15,26H2,1-2H3,(H,27,33)/t17-/m1/s1