N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methyl-phenyl]propane-1-sulfonamide

Systemtic Name: N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methyl-phenyl]propane-1-sulfonamide Openeye Name: N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methyl-phenyl]propane-1-sulfonamide CAS Name: N-[5-[[6-(3-aminophenyl)-4-pyrimidinyl]amino]-2-methylphenyl]-1-propanesulfonamide IUPAC Name: N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]propane-1-sulfonamide Traditional Name: N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methyl-phenyl]propane-1-sulfonamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=C(C=CC(=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)N)C

Isomeric SMILES

CCCS(=O)(=O)NC1=C(C=CC(=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)N)C

InChI

InChI=1S/C20H23N5O2S/c1-3-9-28(26,27)25-18-11-17(8-7-14(18)2)24-20-12-19(22-13-23-20)15-5-4-6-16(21)10-15/h4-8,10-13,25H,3,9,21H2,1-2H3,(H,22,23,24)