2-[4-[(4-chlorophenyl)methylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]-6-methyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-6-methyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]-6-methyl-pyrimidin-2-yl]thio]acetonitrile Formula: C14H13ClN4S MolecularWeight: 304.79782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC#N)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SCC#N)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN4S/c1-10-8-13(19-14(18-10)20-7-6-16)17-9-11-2-4-12(15)5-3-11/h2-5,8H,7,9H2,1H3,(H,17,18,19)