3-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxo-ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(5-keto-3-methyl-2-pyrazolin-1-yl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4

Isomeric SMILES

CC1=NN(C(=O)C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4

InChI

InChI=1S/C16H16N4O3S/c1-9-6-12(21)20(18-9)13(22)7-19-8-17-15-14(16(19)23)10-4-2-3-5-11(10)24-15/h8H,2-7H2,1H3