ethyl 4-azanyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(piperonylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N4O5S/c1-2-24-16(23)11-7-20-17(21-15(11)18)27-8-14(22)19-6-10-3-4-12-13(5-10)26-9-25-12/h3-5,7H,2,6,8-9H2,1H3,(H,19,22)(H2,18,20,21)