2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-hydroxy-1-propyl-pyrimidin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-6-hydroxy-1-propyl-4-pyrimidinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-6-hydroxy-1-propylpyrimidin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]thio]-6-hydroxy-1-propyl-pyrimidin-4-one Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)O

InChI

InChI=1S/C20H23N3O3S2/c1-4-7-22-19(26)10-18(25)21-20(22)28-12-17(24)16-9-13(2)23(14(16)3)11-15-6-5-8-27-15/h5-6,8-10,26H,4,7,11-12H2,1-3H3