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

Systemtic Name: 2-[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[8-(3-aminopiperidino)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]-N-(3-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=CC(=C4)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N8O3/c1-3-4-11-31-20-21(28-23(31)30-10-6-8-17(26)14-30)29(2)24(35)32(22(20)34)15-19(33)27-18-9-5-7-16(12-18)13-25/h5,7,9,12,17H,6,8,10-11,14-15,26H2,1-2H3,(H,27,33)