tert-butyl 4-[3-[2,4-bis(azanyl)quinazolin-6-yl]propyl]benzoate

Systemtic Name: tert-butyl 4-[3-[2,4-bis(azanyl)quinazolin-6-yl]propyl]benzoate Openeye Name: tert-butyl 4-[3-(2,4-diaminoquinazolin-6-yl)propyl]benzoate CAS Name: 4-[3-(2,4-diamino-6-quinazolinyl)propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,4-diaminoquinazolin-6-yl)propyl]benzoate Traditional Name: 4-[3-(2,4-diaminoquinazolin-6-yl)propyl]benzoic acid tert-butyl ester Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C22H26N4O2/c1-22(2,3)28-20(27)16-10-7-14(8-11-16)5-4-6-15-9-12-18-17(13-15)19(23)26-21(24)25-18/h7-13H,4-6H2,1-3H3,(H4,23,24,25,26)