5-[[3,5-dimethoxy-4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-dimethoxy-4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-dimethoxy-4-[3-(1-naphthylamino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-dimethoxy-4-[3-(1-naphthalenylamino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-dimethoxy-4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenoxy]propyl-(1-naphthyl)amine Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCCNC2=CC=CC3=CC=CC=C32)OC)CC4=CN=C(N=C4N)N

Isomeric SMILES

COC1=CC(=CC(=C1OCCCNC2=CC=CC3=CC=CC=C32)OC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C26H29N5O3/c1-32-22-14-17(13-19-16-30-26(28)31-25(19)27)15-23(33-2)24(22)34-12-6-11-29-21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-10,14-16,29H,6,11-13H2,1-2H3,(H4,27,28,30,31)