N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H20ClN5O2S2 MolecularWeight: 461.9881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C20H20ClN5O2S2/c1-12(27)22-9-3-4-13-5-7-14(8-6-13)16-11-30-20(24-16)26-18(28)17-15(21)10-23-19(25-17)29-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,27)(H,24,26,28)