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

Systemtic Name: 3-[[(3S)-3-[[5-(2-azanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[[5-(2-aminopyrimidin-4-yl)-2-thienyl]sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[[5-(2-amino-4-pyrimidinyl)-2-thiophenyl]sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[[5-(2-aminopyrimidin-4-yl)thiophen-2-yl]sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-3-[[5-(2-aminopyrimidin-4-yl)-2-thienyl]sulfonylamino]-2-keto-pyrrolidino]methyl]benzamidine Formula: C20H21N7O3S2 MolecularWeight: 471.55584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)N)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)N)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C20H21N7O3S2/c21-18(22)13-3-1-2-12(10-13)11-27-9-7-15(19(27)28)26-32(29,30)17-5-4-16(31-17)14-6-8-24-20(23)25-14/h1-6,8,10,15,26H,7,9,11H2,(H3,21,22)(H2,23,24,25)/t15-/m0/s1