N2-(3,4-dimethoxy-5-methylsulfanyl-phenyl)-N4-(3-methoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethoxy-5-methylsulfanyl-phenyl)-N4-(3-methoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethoxy-5-methylsulfanyl-phenyl)-N4-(3-methoxyphenyl)pyrimidine-2,4-diamine CAS Name: N2-[3,4-dimethoxy-5-(methylthio)phenyl]-N4-(3-methoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethoxy-5-methylsulfanylphenyl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine Traditional Name: [2-[3,4-dimethoxy-5-(methylthio)anilino]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC=C2)NC3=CC(=C(C(=C3)SC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC=C2)NC3=CC(=C(C(=C3)SC)OC)OC

InChI

InChI=1S/C20H22N4O3S/c1-25-15-7-5-6-13(10-15)22-18-8-9-21-20(24-18)23-14-11-16(26-2)19(27-3)17(12-14)28-4/h5-12H,1-4H3,(H2,21,22,23,24)