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

Systemtic Name: N4-[[2-(cyclobutylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(cyclobutylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(cyclobutylamino)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(cyclobutylamino)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: cyclobutyl-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC4CCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC4CCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O2/c1-2-22-19-11-18-16(10-20(19)27(28)29)21(25-13-24-18)23-12-14-6-3-4-9-17(14)26-15-7-5-8-15/h3-4,6,9-11,13,15,22,26H,2,5,7-8,12H2,1H3,(H,23,24,25)