5-[1-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]cyclohexyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[1-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]cyclohexyl]pyrimidine-2,4-diamine Openeye Name: 5-[1-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]cyclohexyl]pyrimidine-2,4-diamine CAS Name: 5-[1-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]cyclohexyl]pyrimidine-2,4-diamine IUPAC Name: 5-[1-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]cyclohexyl]pyrimidine-2,4-diamine Traditional Name: [2-(2,4-diaminopyrimidin-5-yl)-2-methyl-cyclohexyl]-(2,3,4-trimethoxybenzyl)amine Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1NCC2=C(C(=C(C=C2)OC)OC)OC)C3=CN=C(N=C3N)N

Isomeric SMILES

CC1(CCCCC1NCC2=C(C(=C(C=C2)OC)OC)OC)C3=CN=C(N=C3N)N

InChI

InChI=1S/C21H31N5O3/c1-21(14-12-25-20(23)26-19(14)22)10-6-5-7-16(21)24-11-13-8-9-15(27-2)18(29-4)17(13)28-3/h8-9,12,16,24H,5-7,10-11H2,1-4H3,(H4,22,23,25,26)