6-azanyl-5-[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[(2S)-2-[(4-tert-butylphenyl)thio]-1-oxopropyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[(2S)-2-[(4-tert-butylphenyl)thio]propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H25N3O3S/c1-11(26-13-9-7-12(8-10-13)19(2,3)4)15(23)14-16(20)21(5)18(25)22(6)17(14)24/h7-11H,20H2,1-6H3/t11-/m0/s1