(phenylmethyl) N-[(5-bromanyl-2-chloranyl-6-methyl-pyrimidin-4-yl)-methyl-amino]carbamodithioate

Systemtic Name: (phenylmethyl) N-[(5-bromanyl-2-chloranyl-6-methyl-pyrimidin-4-yl)-methyl-amino]carbamodithioate Openeye Name: benzyl N-[(5-bromo-2-chloro-6-methyl-pyrimidin-4-yl)-methyl-amino]carbamodithioate CAS Name: N-[(5-bromo-2-chloro-6-methyl-4-pyrimidinyl)-methylamino]carbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)-methylamino]carbamodithioate Traditional Name: N-[(5-bromo-2-chloro-6-methyl-pyrimidin-4-yl)-methyl-amino]carbamodithioic acid benzyl ester Formula: C14H14BrClN4S2 MolecularWeight: 417.77476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)Cl)N(C)NC(=S)SCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)Cl)N(C)NC(=S)SCC2=CC=CC=C2)Br

InChI

InChI=1S/C14H14BrClN4S2/c1-9-11(15)12(18-13(16)17-9)20(2)19-14(21)22-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,19,21)