2-(4-methylsulfonylphenyl)-N6-(phenylmethyl)-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 2-(4-methylsulfonylphenyl)-N6-(phenylmethyl)-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-isopropyl-2-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine CAS Name: 2-(4-methylsulfonylphenyl)-N6-(phenylmethyl)-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-2-(4-methylsulfonylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(isopropylamino)-2-(4-mesylphenyl)pyrimidin-4-yl]amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)NC1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24N4O2S/c1-15(2)23-20-13-19(22-14-16-7-5-4-6-8-16)24-21(25-20)17-9-11-18(12-10-17)28(3,26)27/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25)