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

Systemtic Name: N4-[[2-(dimethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(dimethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(dimethylaminomethyl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(dimethylaminomethyl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: [2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]benzyl]-dimethyl-amine Formula: C20H24N6O2 MolecularWeight: 380.44356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O2/c1-4-21-18-10-17-16(9-19(18)26(27)28)20(24-13-23-17)22-11-14-7-5-6-8-15(14)12-25(2)3/h5-10,13,21H,4,11-12H2,1-3H3,(H,22,23,24)