2-[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C18H23N3O3S/c1-6-7-13-8-14(23)21-18(20-13)25-12(5)17(24)16-9(2)15(11(4)22)10(3)19-16/h8,12,19H,6-7H2,1-5H3,(H,20,21,23)