tert-butyl N-[(3R)-1-[7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-2,6-bis(oxidanylidene)-3-phenyl-purin-8-yl]piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-2,6-bis(oxidanylidene)-3-phenyl-purin-8-yl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-2,6-dioxo-3-phenyl-purin-8-yl]-3-piperidyl]carbamate CAS Name: N-[(3R)-1-[7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-2,6-dioxo-3-phenyl-8-purinyl]-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-1-(1,5-naphthyridin-2-ylmethyl)-2,6-dioxo-3-phenylpurin-8-yl]piperidin-3-yl]carbamate Traditional Name: N-[(3R)-1-[7-but-2-ynyl-2,6-diketo-1-(1,5-naphthyridin-2-ylmethyl)-3-phenyl-purin-8-yl]-3-piperidyl]carbamic acid tert-butyl ester Formula: C34H36N8O4 MolecularWeight: 620.70084

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)N=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)N=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H36N8O4/c1-5-6-20-40-28-29(38-31(40)39-19-11-12-23(21-39)37-32(44)46-34(2,3)4)42(25-13-8-7-9-14-25)33(45)41(30(28)43)22-24-16-17-26-27(36-24)15-10-18-35-26/h7-10,13-18,23H,11-12,19-22H2,1-4H3,(H,37,44)/t23-/m1/s1