N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(6-chloronicotinoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C17H20ClN5O4S2 MolecularWeight: 457.9548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O4S2/c18-13-5-4-12(11-21-13)17(25)22-8-2-9-23(16(22)15(24)20-7-6-19)29(26,27)14-3-1-10-28-14/h1,3-5,10-11,16H,2,6-9,19H2,(H,20,24)