5-[[4-methoxy-3-[3-(4-nitrophenoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-methoxy-3-[3-(4-nitrophenoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-methoxy-3-[3-(4-nitrophenoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-methoxy-3-[3-(4-nitrophenoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-methoxy-3-[3-(4-nitrophenoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-methoxy-3-[3-(4-nitrophenoxy)propoxy]benzyl]pyrimidin-4-yl]amine Formula: C21H23N5O5 MolecularWeight: 425.43782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-29-18-8-3-14(11-15-13-24-21(23)25-20(15)22)12-19(18)31-10-2-9-30-17-6-4-16(5-7-17)26(27)28/h3-8,12-13H,2,9-11H2,1H3,(H4,22,23,24,25)