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

Systemtic Name: 6-[4,6-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoic acid Openeye Name: 6-[4,6-dioxo-3-(3-pyridylmethyl)-2-thioxo-hexahydropyrimidin-1-yl]hexanoic acid CAS Name: 6-[4,6-dioxo-3-(3-pyridinylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoic acid IUPAC Name: 6-[4,6-dioxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]hexanoic acid Traditional Name: 6-[4,6-diketo-3-(3-pyridylmethyl)-2-thioxo-hexahydropyrimidin-1-yl]hexanoic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)N(C1=O)CC2=CN=CC=C2)CCCCCC(=O)O

Isomeric SMILES

C1C(=O)N(C(=S)N(C1=O)CC2=CN=CC=C2)CCCCCC(=O)O

InChI

InChI=1S/C16H19N3O4S/c20-13-9-14(21)19(11-12-5-4-7-17-10-12)16(24)18(13)8-3-1-2-6-15(22)23/h4-5,7,10H,1-3,6,8-9,11H2,(H,22,23)