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

Systemtic Name: 2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]-N-(3-pyridyl)acetamide CAS Name: 2-[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]-N-pyridin-3-ylacetamide Traditional Name: 2-[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]-N-(3-pyridyl)acetamide Formula: C22H26N8O3 MolecularWeight: 450.49364

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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=CN=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N8O3/c1-3-4-11-29-18-19(26-21(29)28-10-6-7-15(23)13-28)27(2)22(33)30(20(18)32)14-17(31)25-16-8-5-9-24-12-16/h5,8-9,12,15H,6-7,10-11,13-14,23H2,1-2H3,(H,25,31)/t15-/m1/s1