N5-[1,1-bis(oxidanylidene)thiolan-3-yl]-N5-methyl-isoquinoline-5,8-diamine

Systemtic Name: N5-[1,1-bis(oxidanylidene)thiolan-3-yl]-N5-methyl-isoquinoline-5,8-diamine Openeye Name: N5-(1,1-dioxothiolan-3-yl)-N5-methyl-isoquinoline-5,8-diamine CAS Name: N5-(1,1-dioxo-3-thiolanyl)-N5-methylisoquinoline-5,8-diamine IUPAC Name: 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylisoquinoline-5,8-diamine Traditional Name: (8-amino-5-isoquinolyl)-(1,1-diketothiolan-3-yl)-methyl-amine Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C14H17N3O2S/c1-17(10-5-7-20(18,19)9-10)14-3-2-13(15)12-8-16-6-4-11(12)14/h2-4,6,8,10H,5,7,9,15H2,1H3