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

Systemtic Name: 6-azanyl-5-[2-(4-tert-butylphenyl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-tert-butylphenyl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-tert-butylphenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(4-tert-butylphenyl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C19H25N3O3S MolecularWeight: 375.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-5-10-22-16(20)15(17(24)21-18(22)25)14(23)11-26-13-8-6-12(7-9-13)19(2,3)4/h6-9H,5,10-11,20H2,1-4H3,(H,21,24,25)