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ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name:ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate
Openeye Name:ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate
CAS Name:4-(1,3-benzodioxol-5-ylmethylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester
IUPAC Name:ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Traditional Name:2-(methylthio)-4-(piperonylamino)pyrimidine-5-carboxylic acid ethyl ester
Formula: C16H17N3O4S
MolecularWeight: 347.38888
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)SC


Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)SC


InChI

InChI=1S/C16H17N3O4S/c1-3-21-15(20)11-8-18-16(24-2)19-14(11)17-7-10-4-5-12-13(6-10)23-9-22-12/h4-6,8H,3,7,9H2,1-2H3,(H,17,18,19)


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