6-ethyl-3-(furan-2-ylmethyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-(furan-2-ylmethyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-(2-furylmethyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-(2-furanylmethyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-(furan-2-ylmethyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-(2-furfuryl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC4=CC(=O)NN4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC4=CC(=O)NN4

InChI

InChI=1S/C17H16N4O3S2/c1-2-12-7-13-15(26-12)18-17(25-9-10-6-14(22)20-19-10)21(16(13)23)8-11-4-3-5-24-11/h3-7H,2,8-9H2,1H3,(H2,19,20,22)