6-azanyl-5-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-1-(2-methylpropyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1-isobutyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(2,5-dimethylphenyl)thio]acetyl]-1-isobutyl-pyrimidine-2,4-quinone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(N(C(=O)NC2=O)CC(C)C)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(N(C(=O)NC2=O)CC(C)C)N

InChI

InChI=1S/C18H23N3O3S/c1-10(2)8-21-16(19)15(17(23)20-18(21)24)13(22)9-25-14-7-11(3)5-6-12(14)4/h5-7,10H,8-9,19H2,1-4H3,(H,20,23,24)