6-azanyl-5-[2-(4-tert-butylphenyl)sulfanylethanoyl]-1-methyl-pyrimidine-2,4-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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