N2-phenyl-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C19H21N7O2S2 MolecularWeight: 443.54574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C19H21N7O2S2/c20-18-23-16(24-19(25-18)22-14-6-2-1-3-7-14)13-29-17-9-8-15(12-21-17)30(27,28)26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H3,20,22,23,24,25)