N2-ethyl-N4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-quinazoline-2,4-diamine

Systemtic Name: N2-ethyl-N4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-quinazoline-2,4-diamine Openeye Name: N2-ethyl-N4-[[3-(morpholinomethyl)phenyl]methyl]-6-nitro-quinazoline-2,4-diamine CAS Name: N2-ethyl-N4-[[3-(4-morpholinylmethyl)phenyl]methyl]-6-nitroquinazoline-2,4-diamine IUPAC Name: 2-N-ethyl-4-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitroquinazoline-2,4-diamine Traditional Name: ethyl-[4-[[3-(morpholinomethyl)benzyl]amino]-6-nitro-quinazolin-2-yl]amine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC3=CC=CC(=C3)CN4CCOCC4

Isomeric SMILES

CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC3=CC=CC(=C3)CN4CCOCC4

InChI

InChI=1S/C22H26N6O3/c1-2-23-22-25-20-7-6-18(28(29)30)13-19(20)21(26-22)24-14-16-4-3-5-17(12-16)15-27-8-10-31-11-9-27/h3-7,12-13H,2,8-11,14-15H2,1H3,(H2,23,24,25,26)