N7-ethyl-N4-[[4-(ethylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[[4-(ethylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[4-(ethylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[4-(ethylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[4-(ethylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[4-(ethylamino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

Isomeric SMILES

CCNC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

InChI

InChI=1S/C19H22N6O2/c1-3-20-14-7-5-13(6-8-14)11-22-19-15-9-18(25(26)27)17(21-4-2)10-16(15)23-12-24-19/h5-10,12,20-21H,3-4,11H2,1-2H3,(H,22,23,24)