N7-ethyl-N4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(morpholinomethyl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-(4-morpholinylmethyl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(morpholinomethyl)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCOCC4)[N+](=O)[O-]

InChI

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