O1-[[2,4-bis(azanyl)quinazolin-6-yl]methyl] O4-tert-butyl benzene-1,4-dicarboxylate

Systemtic Name: O1-[[2,4-bis(azanyl)quinazolin-6-yl]methyl] O4-tert-butyl benzene-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-[(2,4-diaminoquinazolin-6-yl)methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(2,4-diamino-6-quinazolinyl)methyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(2,4-diaminoquinazolin-6-yl)methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(2,4-diaminoquinazolin-6-yl)methyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C21H22N4O4/c1-21(2,3)29-19(27)14-7-5-13(6-8-14)18(26)28-11-12-4-9-16-15(10-12)17(22)25-20(23)24-16/h4-10H,11H2,1-3H3,(H4,22,23,24,25)