4-(butylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine

Systemtic Name: 4-(butylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine Openeye Name: N2-benzyl-4-(butylaminomethyl)-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: 4-(butylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine IUPAC Name: 2-N-benzyl-4-(butylaminomethyl)-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: benzyl-[4-(butylaminomethyl)-7-(ethylamino)-6-nitro-quinazolin-2-yl]amine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=NC(=NC2=CC(=C(C=C21)[N+](=O)[O-])NCC)NCC3=CC=CC=C3

Isomeric SMILES

CCCCNCC1=NC(=NC2=CC(=C(C=C21)[N+](=O)[O-])NCC)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N6O2/c1-3-5-11-23-15-20-17-12-21(28(29)30)19(24-4-2)13-18(17)26-22(27-20)25-14-16-9-7-6-8-10-16/h6-10,12-13,23-24H,3-5,11,14-15H2,1-2H3,(H,25,26,27)