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

Systemtic Name: N7-ethyl-6-nitro-N4-[[4-[(phenylmethyl)amino]phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N4-[[4-(benzylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[4-[(phenylmethyl)amino]phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 4-N-[[4-(benzylamino)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: benzyl-[4-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amine Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O2/c1-2-25-22-13-21-20(12-23(22)30(31)32)24(29-16-28-21)27-15-18-8-10-19(11-9-18)26-14-17-6-4-3-5-7-17/h3-13,16,25-26H,2,14-15H2,1H3,(H,27,28,29)