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

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]-6-propyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]-6-propyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-6-propyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]-6-propylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]-6-propyl-pyrimidin-2-yl]thio]acetonitrile Formula: C16H17ClN4S MolecularWeight: 332.85098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC#N)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC#N)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN4S/c1-2-3-14-10-15(21-16(20-14)22-9-8-18)19-11-12-4-6-13(17)7-5-12/h4-7,10H,2-3,9,11H2,1H3,(H,19,20,21)