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

Systemtic Name: 2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]-N-phenyl-acetamide CAS Name: 2-[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]-N-phenylacetamide IUPAC Name: 2-[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]-N-phenylacetamide Traditional Name: 2-[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]-N-phenyl-acetamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O3/c1-3-4-13-29-19-20(26-22(29)28-12-8-9-16(24)14-28)27(2)23(33)30(21(19)32)15-18(31)25-17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15,24H2,1-2H3,(H,25,31)/t16-/m1/s1