3-azanyl-4-[2-[[5-(dimethylaminomethyl)furan-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[2-[[5-(dimethylaminomethyl)furan-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-3-furyl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-3-furanyl]methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)furan-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-3-furyl]methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CO1)CSCCNC2=C(C(=O)C2=O)N

Isomeric SMILES

CN(C)CC1=CC(=CO1)CSCCNC2=C(C(=O)C2=O)N

InChI

InChI=1S/C14H19N3O3S/c1-17(2)6-10-5-9(7-20-10)8-21-4-3-16-12-11(15)13(18)14(12)19/h5,7,16H,3-4,6,8,15H2,1-2H3