3-azanyl-4-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[(3-methoxy-2-pyridinyl)methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[(3-methoxy-2-pyridyl)methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCNC2=C(C(=O)C2=O)N

Isomeric SMILES

COC1=C(N=CC=C1)CSCCNC2=C(C(=O)C2=O)N

InChI

InChI=1S/C13H15N3O3S/c1-19-9-3-2-4-15-8(9)7-20-6-5-16-11-10(14)12(17)13(11)18/h2-4,16H,5-7,14H2,1H3