2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(phenylsulfanylmethyl)-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(phenylsulfanylmethyl)-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(phenylsulfanylmethyl)pyrimidin-4-amine CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-6-[(phenylthio)methyl]-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(phenylsulfanylmethyl)-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[2-[(3,4-dichlorobenzyl)thio]-6-[(phenylthio)methyl]pyrimidin-4-yl]amine Formula: C21H19Cl2N3S2 MolecularWeight: 448.43166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1)CSC2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCNC1=NC(=NC(=C1)CSC2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3S2/c1-2-10-24-20-12-16(14-27-17-6-4-3-5-7-17)25-21(26-20)28-13-15-8-9-18(22)19(23)11-15/h2-9,11-12H,1,10,13-14H2,(H,24,25,26)