4-(ethylamino)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: 4-(ethylamino)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 4-(ethylamino)-2-(p-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-(ethylamino)-2-[(4-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 4-(ethylamino)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-(ethylamino)-2-[(4-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C(=O)[O-])SCC2=CC=C(C=C2)C

Isomeric SMILES

CCNC1=NC(=NC=C1C(=O)[O-])SCC2=CC=C(C=C2)C

InChI

InChI=1S/C15H17N3O2S/c1-3-16-13-12(14(19)20)8-17-15(18-13)21-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,19,20)(H,16,17,18)/p-1