3-[[(3S)-3-[[5-(2-azanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-[[5-(2-azanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[[5-(2-aminopyrimidin-4-yl)-2-thienyl]sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[[5-(2-amino-4-pyrimidinyl)-2-thiophenyl]sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[[5-(2-aminopyrimidin-4-yl)thiophen-2-yl]sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-3-[[5-(2-aminopyrimidin-4-yl)-2-thienyl]sulfonyl-methyl-amino]-2-keto-pyrrolidino]methyl]benzamidine Formula: C21H23N7O3S2 MolecularWeight: 485.58242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1=O)CC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC=C(S3)C4=NC(=NC=C4)N

Isomeric SMILES

CN([C@H]1CCN(C1=O)CC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC=C(S3)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H23N7O3S2/c1-27(33(30,31)18-6-5-17(32-18)15-7-9-25-21(24)26-15)16-8-10-28(20(16)29)12-13-3-2-4-14(11-13)19(22)23/h2-7,9,11,16H,8,10,12H2,1H3,(H3,22,23)(H2,24,25,26)/t16-/m0/s1