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

Systemtic Name: N7-ethyl-N4-[[2-(2-methylpropylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(isobutylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-(2-methylpropylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-(2-methylpropylamino)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(isobutylamino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O2/c1-4-22-19-10-18-16(9-20(19)27(28)29)21(26-13-25-18)24-12-15-7-5-6-8-17(15)23-11-14(2)3/h5-10,13-14,22-23H,4,11-12H2,1-3H3,(H,24,25,26)