2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]pyrimidin-4-yl]amine Formula: C13H17N5O3S2 MolecularWeight: 355.43578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H17N5O3S2/c14-10-7-11(15)17-13(16-10)22-8-9-3-4-12(21-9)23(19,20)18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H4,14,15,16,17)