5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]isophthalamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C

InChI

InChI=1S/C18H17N5O3S2/c1-8-9(2)28-18-14(8)17(21-7-22-18)27-6-13(24)23-12-4-10(15(19)25)3-11(5-12)16(20)26/h3-5,7H,6H2,1-2H3,(H2,19,25)(H2,20,26)(H,23,24)