tert-butyl 4-(8-oxidanylidene-7,9-dihydropurin-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-oxidanylidene-7,9-dihydropurin-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-oxo-7,9-dihydropurin-6-yl)piperazine-1-carboxylate CAS Name: 4-(8-oxo-7,9-dihydropurin-6-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-oxo-7,9-dihydropurin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(8-keto-7,9-dihydropurin-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C14H20N6O3 MolecularWeight: 320.347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C2NC(=O)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C2NC(=O)N3

InChI

InChI=1S/C14H20N6O3/c1-14(2,3)23-13(22)20-6-4-19(5-7-20)11-9-10(15-8-16-11)18-12(21)17-9/h8H,4-7H2,1-3H3,(H2,15,16,17,18,21)