N-(4-iodophenyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: N-(4-iodophenyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-N-(4-iodophenyl)-6-methyl-pyrimidin-4-amine CAS Name: N-(4-iodophenyl)-6-methyl-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-N-(4-iodophenyl)-6-methylpyrimidin-4-amine Traditional Name: [2-(benzylthio)-6-methyl-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C18H16IN3S MolecularWeight: 433.30921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=C(C=C3)I

InChI

InChI=1S/C18H16IN3S/c1-13-11-17(21-16-9-7-15(19)8-10-16)22-18(20-13)23-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,22)