2-(4-azanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-1-ium-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)ethanamide

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-1-ium-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-(4-amino-5,6-dimethyl-furo[2,3-d]pyrimidin-1-ium-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-[(4-amino-5,6-dimethyl-2-furo[2,3-d]pyrimidin-1-iumyl)thio]-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-1-ium-2-yl)sulfanyl-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-[(4-amino-5,6-dimethyl-furo[2,3-d]pyrimidin-1-ium-2-yl)thio]-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C16H19N5O2S+2 MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=[NH+]C(=NC(=C12)N)SCC(=O)NCC3=C[NH+]=CC=C3)C

Isomeric SMILES

CC1=C(OC2=[NH+]C(=NC(=C12)N)SCC(=O)NCC3=C[NH+]=CC=C3)C

InChI

InChI=1S/C16H17N5O2S/c1-9-10(2)23-15-13(9)14(17)20-16(21-15)24-8-12(22)19-7-11-4-3-5-18-6-11/h3-6H,7-8H2,1-2H3,(H,19,22)(H2,17,20,21)/p+2