6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrimidin-4-amine CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-pyrimidin-4-yl]amine Formula: C20H18ClN3S MolecularWeight: 367.89502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3S/c1-2-12-22-19-13-17(14-25-18-10-8-16(21)9-11-18)23-20(24-19)15-6-4-3-5-7-15/h2-11,13H,1,12,14H2,(H,22,23,24)