ethyl (E)-3-[4-(cyclopentylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(cyclopentylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(cyclopentylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(cyclopentylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(cyclopentylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NC2CCCC2)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NC2CCCC2)SC

InChI

InChI=1S/C15H21N3O2S/c1-3-20-13(19)9-8-11-10-16-15(21-2)18-14(11)17-12-6-4-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,16,17,18)/b9-8+