N-(3-bromophenyl)-7-[3-[4-(diethoxyphosphorylmethyl)piperazin-1-yl]propoxy]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-7-[3-[4-(diethoxyphosphorylmethyl)piperazin-1-yl]propoxy]-6-nitro-quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-7-[3-[4-(diethoxyphosphorylmethyl)piperazin-1-yl]propoxy]-6-nitro-quinazolin-4-amine CAS Name: N-(3-bromophenyl)-7-[3-[4-(diethoxyphosphorylmethyl)-1-piperazinyl]propoxy]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-7-[3-[4-(diethoxyphosphorylmethyl)piperazin-1-yl]propoxy]-6-nitroquinazolin-4-amine Traditional Name: (3-bromophenyl)-[7-[3-[4-(diethoxyphosphorylmethyl)piperazino]propoxy]-6-nitro-quinazolin-4-yl]amine Formula: C26H34BrN6O6P MolecularWeight: 637.462521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-])OCC

InChI

InChI=1S/C26H34BrN6O6P/c1-3-38-40(36,39-4-2)19-32-12-10-31(11-13-32)9-6-14-37-25-17-23-22(16-24(25)33(34)35)26(29-18-28-23)30-21-8-5-7-20(27)15-21/h5,7-8,15-18H,3-4,6,9-14,19H2,1-2H3,(H,28,29,30)