methyl (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoate

Systemtic Name: methyl (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoate Openeye Name: methyl (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoate CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-3-methyl-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylbut-2-enoate Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-3-methyl-but-2-enoic acid methyl ester Formula: C10H12ClN3O2S MolecularWeight: 273.73918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)CSC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

C/C(=C\C(=O)OC)/CSC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C10H12ClN3O2S/c1-6(3-9(15)16-2)5-17-10-13-7(11)4-8(12)14-10/h3-4H,5H2,1-2H3,(H2,12,13,14)/b6-3+