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

Systemtic Name: (2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: (2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: (2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: (2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: (2R)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=O)C=C(N3)N

Isomeric SMILES

CC[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C17H19N5O3S2/c1-3-11(26-17-20-13(18)8-14(23)21-17)15(24)22-16-19-10-6-5-9(25-4-2)7-12(10)27-16/h5-8,11H,3-4H2,1-2H3,(H,19,22,24)(H3,18,20,21,23)/t11-/m1/s1