2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5,6-diamino-4-keto-1H-pyrimidin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C14H14N6O3S2 MolecularWeight: 378.42936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)N)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)N)N

InChI

InChI=1S/C14H14N6O3S2/c1-23-6-2-3-7-8(4-6)25-14(17-7)18-9(21)5-24-13-19-11(16)10(15)12(22)20-13/h2-4H,5,15H2,1H3,(H,17,18,21)(H3,16,19,20,22)