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

Systemtic Name: methyl (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-pent-2-enoate Openeye Name: methyl (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-3-methyl-pent-2-enoate CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-3-methyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylpent-2-enoate Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-3-methyl-pent-2-enoic acid methyl ester Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC(=O)OC)C)SC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

CC(/C(=C/C(=O)OC)/C)SC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C11H14ClN3O2S/c1-6(4-10(16)17-3)7(2)18-11-14-8(12)5-9(13)15-11/h4-5,7H,1-3H3,(H2,13,14,15)/b6-4+