N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C16H21N5O2S3 MolecularWeight: 411.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=NC(=C(S2)SCC(=O)N)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=NC(=C(S2)SCC(=O)N)C

InChI

InChI=1S/C16H21N5O2S3/c1-8-11(9(2)19-15(18-8)24-4)5-6-13(23)21-16-20-10(3)14(26-16)25-7-12(17)22/h5-7H2,1-4H3,(H2,17,22)(H,20,21,23)