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

Systemtic Name: N7-ethyl-6-nitro-N4-[[4-(propylaminomethyl)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[4-(propylaminomethyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[4-(propylaminomethyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[4-(propylaminomethyl)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[4-(propylaminomethyl)benzyl]amino]quinazolin-7-yl]amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

Isomeric SMILES

CCCNCC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])NCC

InChI

InChI=1S/C21H26N6O2/c1-3-9-22-12-15-5-7-16(8-6-15)13-24-21-17-10-20(27(28)29)19(23-4-2)11-18(17)25-14-26-21/h5-8,10-11,14,22-23H,3-4,9,12-13H2,1-2H3,(H,24,25,26)