5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(pyridin-3-ylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(pyridin-3-ylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(3-pyridylmethoxymethyl)pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(3-pyridinylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(pyridin-3-ylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(3-pyridylmethoxymethyl)pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)COCC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)COCC4=CN=CC=C4

InChI

InChI=1S/C25H26N6O3S/c1-35(32,33)21-10-4-17(5-11-21)14-29-20-8-6-19(7-9-20)23-22(30-25(27)31-24(23)26)16-34-15-18-3-2-12-28-13-18/h2-13,29H,14-16H2,1H3,(H4,26,27,30,31)