2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C19H15N5O2S2 MolecularWeight: 409.4847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C19H15N5O2S2/c20-15-10-16(25)23-19(24(15)12-6-2-1-3-7-12)27-11-17(26)22-18-21-13-8-4-5-9-14(13)28-18/h1-10H,11,20H2,(H,21,22,26)