tert-butyl 4-[6-oxidanylidene-7-(phenylmethyl)-3H-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-oxidanylidene-7-(phenylmethyl)-3H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-benzyl-6-oxo-3H-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-[6-oxo-7-(phenylmethyl)-3H-purin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-benzyl-6-oxo-3H-purin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-benzyl-6-keto-3H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N=CN3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N=CN3

InChI

InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26-11-9-25(10-12-26)19-24-17-16(18(28)23-14-22-17)27(19)13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,22,23,28)