2-[6-methyl-4-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[2,3-d]pyrimidin-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-methyl-4-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[2,3-d]pyrimidin-2-yl]sulfanylethanamide Openeye Name: 2-[3-[(2-benzylsulfanylacetyl)amino]-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide CAS Name: 2-[[6-methyl-4-oxo-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[3-[(2-benzylsulfanylacetyl)amino]-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[[2-(benzylthio)acetyl]amino]-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CSCC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CSCC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C18H18N4O3S3/c1-11-7-13-16(28-11)20-18(27-9-14(19)23)22(17(13)25)21-15(24)10-26-8-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H2,19,23)(H,21,24)