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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-naphthalen-1-yl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(1-naphthyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide Traditional Name: 2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]-N-(1-naphthyl)acetamide Formula: C16H17N5OS+2 MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=[NH+]C(=CC(=[NH+]3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=[NH+]C(=CC(=[NH+]3)N)N

InChI

InChI=1S/C16H15N5OS/c17-13-8-14(18)21-16(20-13)23-9-15(22)19-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)/p+2