tert-butyl N-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]carbamate CAS Name: N-[2-[[[7-(ethylamino)-6-nitro-4-quinazolinyl]amino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]methyl]phenyl]carbamate Traditional Name: N-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]carbamic acid tert-butyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c1-5-23-18-11-17-15(10-19(18)28(30)31)20(26-13-25-17)24-12-14-8-6-7-9-16(14)27-21(29)32-22(2,3)4/h6-11,13,23H,5,12H2,1-4H3,(H,27,29)(H,24,25,26)