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

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(2-phenylazanylethylamino)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N4-[[2-(2-anilinoethylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(2-anilinoethylamino)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(2-anilinoethylamino)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: 2-anilinoethyl-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amine Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCNC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCNC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N7O2/c1-2-26-23-15-22-20(14-24(23)32(33)34)25(31-17-30-22)29-16-18-8-6-7-11-21(18)28-13-12-27-19-9-4-3-5-10-19/h3-11,14-15,17,26-28H,2,12-13,16H2,1H3,(H,29,30,31)