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

Systemtic Name: N7-ethyl-N4-[[4-(methylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[4-(methylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[4-(methylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[4-(methylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[4-(methylamino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2/c1-3-20-16-9-15-14(8-17(16)24(25)26)18(23-11-22-15)21-10-12-4-6-13(19-2)7-5-12/h4-9,11,19-20H,3,10H2,1-2H3,(H,21,22,23)