methyl-[3-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-(4-oxo-2-thioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)propyl]ammonium CAS Name: methyl-[3-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)propyl]azanium Traditional Name: benzyl-[3-(4-keto-2-thioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)propyl]-methyl-ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1C(=O)C2=C(NC1=S)N=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCN1C(=O)C2=C(NC1=S)N=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS/c1-21(13-14-7-3-2-4-8-14)11-6-12-22-17(23)15-9-5-10-19-16(15)20-18(22)24/h2-5,7-10H,6,11-13H2,1H3,(H,19,20,24)/p+1