N4-[5-(2,6-dimethylmorpholin-4-yl)pentyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[5-(2,6-dimethylmorpholin-4-yl)pentyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[5-(2,6-dimethylmorpholin-4-yl)pentyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[5-(2,6-dimethyl-4-morpholinyl)pentyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[5-(2,6-dimethylmorpholin-4-yl)pentyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: 5-(2,6-dimethylmorpholino)pentyl-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amine Formula: C21H32N6O3 MolecularWeight: 416.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCCCN3CC(OC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCCCN3CC(OC(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H32N6O3/c1-4-22-19-11-18-17(10-20(19)27(28)29)21(25-14-24-18)23-8-6-5-7-9-26-12-15(2)30-16(3)13-26/h10-11,14-16,22H,4-9,12-13H2,1-3H3,(H,23,24,25)