ethyl 6-[4,6-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate

Systemtic Name: ethyl 6-[4,6-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate Openeye Name: ethyl 6-[4,6-dioxo-3-(3-pyridylmethyl)-2-thioxo-hexahydropyrimidin-1-yl]hexanoate CAS Name: 6-[4,6-dioxo-3-(3-pyridinylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4,6-dioxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoate Traditional Name: 6-[4,6-diketo-3-(3-pyridylmethyl)-2-thioxo-hexahydropyrimidin-1-yl]hexanoic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C(=O)CC(=O)N(C1=S)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCN1C(=O)CC(=O)N(C1=S)CC2=CN=CC=C2

InChI

InChI=1S/C18H23N3O4S/c1-2-25-17(24)8-4-3-5-10-20-15(22)11-16(23)21(18(20)26)13-14-7-6-9-19-12-14/h6-7,9,12H,2-5,8,10-11,13H2,1H3