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

Systemtic Name: N4-[[2-(cyclopentylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(cyclopentylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(cyclopentylamino)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(cyclopentylamino)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: cyclopentyl-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O2/c1-2-23-20-12-19-17(11-21(20)28(29)30)22(26-14-25-19)24-13-15-7-3-6-10-18(15)27-16-8-4-5-9-16/h3,6-7,10-12,14,16,23,27H,2,4-5,8-9,13H2,1H3,(H,24,25,26)