N4-cyclopropyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2-amino-4-(cyclopropylamino)-6-ethyl-pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)NC2CC2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)NC2CC2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N5O2S/c1-3-20-21(22(26-18-10-11-18)28-23(24)27-20)16-6-8-17(9-7-16)25-14-15-4-12-19(13-5-15)31(2,29)30/h4-9,12-13,18,25H,3,10-11,14H2,1-2H3,(H3,24,26,27,28)