tert-butyl 4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]pyrrolidin-1-yl]benzoate

Systemtic Name: tert-butyl 4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]pyrrolidin-1-yl]benzoate Openeye Name: tert-butyl 4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(2,4,6-triamino-5-pyrimidinyl)-1-pyrrolidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidino]benzoic acid tert-butyl ester Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(C2)C3=C(N=C(N=C3N)N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(C2)C3=C(N=C(N=C3N)N)N

InChI

InChI=1S/C19H26N6O2/c1-19(2,3)27-17(26)11-4-6-13(7-5-11)25-9-8-12(10-25)14-15(20)23-18(22)24-16(14)21/h4-7,12H,8-10H2,1-3H3,(H6,20,21,22,23,24)