tert-butyl 4-[2,4,7-tris(azanyl)pteridin-6-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,4,7-tris(azanyl)pteridin-6-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,4,7-triaminopteridine-6-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(2,4,7-triamino-6-pteridinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,4,7-triaminopteridine-6-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2,4,7-triaminopteridine-6-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H23N9O3 MolecularWeight: 389.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC3=C(N=C2N)N=C(N=C3N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC3=C(N=C2N)N=C(N=C3N)N

InChI

InChI=1S/C16H23N9O3/c1-16(2,3)28-15(27)25-6-4-24(5-7-25)13(26)9-11(18)21-12-8(20-9)10(17)22-14(19)23-12/h4-7H2,1-3H3,(H6,17,18,19,21,22,23)