3-ethyl-2-methylsulfanyl-6-(phenylcarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-methylsulfanyl-6-(phenylcarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-benzoyl-3-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 6-benzoyl-3-ethyl-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzoyl-3-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 6-benzoyl-3-ethyl-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC(=C2)C(=O)C3=CC=CC=C3)N=C1SC

Isomeric SMILES

CCN1C(=O)C2=C(NC(=C2)C(=O)C3=CC=CC=C3)N=C1SC

InChI

InChI=1S/C16H15N3O2S/c1-3-19-15(21)11-9-12(17-14(11)18-16(19)22-2)13(20)10-7-5-4-6-8-10/h4-9,17H,3H2,1-2H3