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

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(thiophen-2-ylmethylamino)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-(2-thienylmethylamino)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-(thiophen-2-ylmethylamino)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-(thiophen-2-ylmethylamino)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-(2-thenylamino)benzyl]amino]quinazolin-7-yl]amine Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O2S/c1-2-23-20-11-19-17(10-21(20)28(29)30)22(27-14-26-19)25-12-15-6-3-4-8-18(15)24-13-16-7-5-9-31-16/h3-11,14,23-24H,2,12-13H2,1H3,(H,25,26,27)