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

Systemtic Name: 2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]-N-benzyl-acetamide CAS Name: 2-[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]-N-benzylacetamide Traditional Name: 2-[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]-N-benzyl-acetamide Formula: C24H29N7O3 MolecularWeight: 463.53216

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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)NCC4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N7O3/c1-3-4-13-30-20-21(27-23(30)29-12-8-11-18(25)15-29)28(2)24(34)31(22(20)33)16-19(32)26-14-17-9-6-5-7-10-17/h5-7,9-10,18H,8,11-16,25H2,1-2H3,(H,26,32)/t18-/m1/s1