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

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(propan-2-ylamino)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(isopropylamino)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-(propan-2-ylamino)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-(propan-2-ylamino)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(isopropylamino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O2/c1-4-21-18-10-17-15(9-19(18)26(27)28)20(24-12-23-17)22-11-14-7-5-6-8-16(14)25-13(2)3/h5-10,12-13,21,25H,4,11H2,1-3H3,(H,22,23,24)