4-chloranyl-6-(3-methylbutoxy)-2-(4-phenylsulfanylphenyl)pyrimidine

Systemtic Name: 4-chloranyl-6-(3-methylbutoxy)-2-(4-phenylsulfanylphenyl)pyrimidine Openeye Name: 4-chloro-6-isopentyloxy-2-(4-phenylsulfanylphenyl)pyrimidine CAS Name: 4-chloro-6-(3-methylbutoxy)-2-[4-(phenylthio)phenyl]pyrimidine IUPAC Name: 4-chloro-6-(3-methylbutoxy)-2-(4-phenylsulfanylphenyl)pyrimidine Traditional Name: 4-chloro-6-isoamoxy-2-[4-(phenylthio)phenyl]pyrimidine Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC(=NC(=N1)C2=CC=C(C=C2)SC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)CCOC1=CC(=NC(=N1)C2=CC=C(C=C2)SC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2OS/c1-15(2)12-13-25-20-14-19(22)23-21(24-20)16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3