5-[[3,4-dimethoxy-5-[4-(4-nitrophenyl)butoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,4-dimethoxy-5-[4-(4-nitrophenyl)butoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-[4-(4-nitrophenyl)butoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-[4-(4-nitrophenyl)butoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,4-dimethoxy-5-[4-(4-nitrophenyl)butoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-[4-(4-nitrophenyl)butoxy]benzyl]pyrimidin-4-yl]amine Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N5O5/c1-31-19-12-16(11-17-14-26-23(25)27-22(17)24)13-20(21(19)32-2)33-10-4-3-5-15-6-8-18(9-7-15)28(29)30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H4,24,25,26,27)