N-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-6-nitro-quinazolin-4-amine Openeye Name: 7-[3-(4-methylpiperazin-1-yl)propoxy]-N-(m-tolyl)-6-nitro-quinazolin-4-amine CAS Name: N-(3-methylphenyl)-7-[3-(4-methyl-1-piperazinyl)propoxy]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-6-nitroquinazolin-4-amine Traditional Name: [7-[3-(4-methylpiperazino)propoxy]-6-nitro-quinazolin-4-yl]-(m-tolyl)amine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCN4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCN4CCN(CC4)C

InChI

InChI=1S/C23H28N6O3/c1-17-5-3-6-18(13-17)26-23-19-14-21(29(30)31)22(15-20(19)24-16-25-23)32-12-4-7-28-10-8-27(2)9-11-28/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,24,25,26)