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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC(=O)C=C(N3)N

Isomeric SMILES

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H13N5O2S2/c1-7(22-14-17-10(15)6-11(20)18-14)12(21)19-13-16-8-4-2-3-5-9(8)23-13/h2-7H,1H3,(H,16,19,21)(H3,15,17,18,20)/t7-/m1/s1