2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C14H13N5O2S2 MolecularWeight: 347.41532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H13N5O2S2/c1-7-3-2-4-8-12(7)19-14(23-8)18-11(21)6-22-13-16-9(15)5-10(20)17-13/h2-5H,6H2,1H3,(H,18,19,21)(H3,15,16,17,20)