N7-ethyl-N4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]butyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[4-[4-(4-methoxyphenyl)piperazino]butylamino]-6-nitro-quinazolin-7-yl]amine Formula: C25H33N7O3 MolecularWeight: 479.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCCN3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCCN3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H33N7O3/c1-3-26-23-17-22-21(16-24(23)32(33)34)25(29-18-28-22)27-10-4-5-11-30-12-14-31(15-13-30)19-6-8-20(35-2)9-7-19/h6-9,16-18,26H,3-5,10-15H2,1-2H3,(H,27,28,29)