N-[2-(3-methoxyphenyl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: N-[2-(3-methoxyphenyl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-[2-(3-methoxyphenyl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-[2-(3-methoxyphenyl)ethyl]-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: 2-(3-methoxyphenyl)ethyl-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

COC1=CC=CC(=C1)CCNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C21H24N6O3/c1-30-17-4-2-3-15(11-17)5-6-23-21-24-14-16-12-20(27(28)29)19(13-18(16)25-21)26-9-7-22-8-10-26/h2-4,11-14,22H,5-10H2,1H3,(H,23,24,25)