tert-butyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H28N6O4/c1-22(2,3)32-21(31)27-12-10-26(11-13-27)19-23-17-16(18(29)24-20(30)25(17)4)28(19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,24,29,30)