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

Systemtic Name: 6-azanyl-5-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(2,5-dimethylphenyl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=C(C=CC(=C2)C)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=C(C=CC(=C2)C)C)N

InChI

InChI=1S/C17H21N3O3S/c1-4-7-20-15(18)14(16(22)19-17(20)23)12(21)9-24-13-8-10(2)5-6-11(13)3/h5-6,8H,4,7,9,18H2,1-3H3,(H,19,22,23)