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

Systemtic Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2-amino-4-(benzylamino)-6-ethyl-pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)NCC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)NCC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H29N5O2S/c1-3-24-25(26(32-27(28)31-24)30-18-19-7-5-4-6-8-19)21-11-13-22(14-12-21)29-17-20-9-15-23(16-10-20)35(2,33)34/h4-16,29H,3,17-18H2,1-2H3,(H3,28,30,31,32)