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

Systemtic Name: N7-ethyl-N4-[[2-(2-methoxyethylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(2-methoxyethylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-(2-methoxyethylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-(2-methoxyethylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(2-methoxyethylamino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCOC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c1-3-21-18-11-17-15(10-19(18)26(27)28)20(25-13-24-17)23-12-14-6-4-5-7-16(14)22-8-9-29-2/h4-7,10-11,13,21-22H,3,8-9,12H2,1-2H3,(H,23,24,25)