4-methyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-methyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-methyl-2-[(E)-2-(4-methylsulfanylphenyl)vinyl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-methyl-2-[(E)-2-[4-(methylthio)phenyl]ethenyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-methyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-methyl-2-[(E)-2-[4-(methylthio)phenyl]vinyl]-6-pyrrolidino-pyrimidine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C=CC2=CC=C(C=C2)SC)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)/C=C/C2=CC=C(C=C2)SC)N3CCCC3

InChI

InChI=1S/C18H21N3S/c1-14-13-18(21-11-3-4-12-21)20-17(19-14)10-7-15-5-8-16(22-2)9-6-15/h5-10,13H,3-4,11-12H2,1-2H3/b10-7+