N2-(3,4-dichlorophenyl)-N4-(2-diethylaminoethyl)-7-nitro-quinazoline-2,4-diamine

Systemtic Name: N2-(3,4-dichlorophenyl)-N4-(2-diethylaminoethyl)-7-nitro-quinazoline-2,4-diamine Openeye Name: N2-(3,4-dichlorophenyl)-N4-(2-diethylaminoethyl)-7-nitro-quinazoline-2,4-diamine CAS Name: N2-(3,4-dichlorophenyl)-N4-(2-diethylaminoethyl)-7-nitroquinazoline-2,4-diamine IUPAC Name: 2-N-(3,4-dichlorophenyl)-4-N-(2-diethylaminoethyl)-7-nitroquinazoline-2,4-diamine Traditional Name: 2-[[2-(3,4-dichloroanilino)-7-nitro-quinazolin-4-yl]amino]ethyl-diethyl-amine Formula: C20H22Cl2N6O2 MolecularWeight: 449.33368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC2=C1C=CC(=C2)[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC2=C1C=CC(=C2)[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N6O2/c1-3-27(4-2)10-9-23-19-15-7-6-14(28(29)30)12-18(15)25-20(26-19)24-13-5-8-16(21)17(22)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,23,24,25,26)