5-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propylthio)pyrimidine-4-carboxamide Formula: C16H15ClN4OS2 MolecularWeight: 378.8995

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)Cl

InChI

InChI=1S/C16H15ClN4OS2/c1-3-6-23-15-18-8-10(17)13(20-15)14(22)21-16-19-11-5-4-9(2)7-12(11)24-16/h4-5,7-8H,3,6H2,1-2H3,(H,19,21,22)