N7-ethyl-N4-[(2-morpholin-4-ylphenyl)methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[(2-morpholin-4-ylphenyl)methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[(2-morpholinophenyl)methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-(4-morpholinyl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[(2-morpholinobenzyl)amino]-6-nitro-quinazolin-7-yl]amine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-2-22-18-12-17-16(11-20(18)27(28)29)21(25-14-24-17)23-13-15-5-3-4-6-19(15)26-7-9-30-10-8-26/h3-6,11-12,14,22H,2,7-10,13H2,1H3,(H,23,24,25)