methyl (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylbut-2-enoate

Systemtic Name: methyl (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylbut-2-enoate Openeye Name: methyl (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylbut-2-enoate CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanylbut-2-enoate Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]but-2-enoic acid methyl ester Formula: C9H10ClN3O2S MolecularWeight: 259.7126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClN3O2S/c1-15-8(14)3-2-4-16-9-12-6(10)5-7(11)13-9/h2-3,5H,4H2,1H3,(H2,11,12,13)/b3-2+