2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C14H19N5OS+2 MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]C(=CC(=[NH+]2)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]C(=CC(=[NH+]2)N)N

InChI

InChI=1S/C14H17N5OS/c1-8-4-3-5-9(2)13(8)19-12(20)7-21-14-17-10(15)6-11(16)18-14/h3-6H,7H2,1-2H3,(H,19,20)(H4,15,16,17,18)/p+2