6-(methoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(methoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(methoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(methoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(methoxymethyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(methoxymethyl)pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N5O3S/c1-28-12-17-18(19(21)25-20(22)24-17)14-5-7-15(8-6-14)23-11-13-3-9-16(10-4-13)29(2,26)27/h3-10,23H,11-12H2,1-2H3,(H4,21,22,24,25)