N7-ethyl-N4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[3-(4-methyl-1-piperazinyl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[3-(4-methylpiperazino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N7O2/c1-3-23-20-13-19-18(12-21(20)29(30)31)22(26-15-25-19)24-14-16-5-4-6-17(11-16)28-9-7-27(2)8-10-28/h4-6,11-13,15,23H,3,7-10,14H2,1-2H3,(H,24,25,26)