6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Openeye Name: 6-benzyl-2-thioxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one CAS Name: 6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one IUPAC Name: 6-benzyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Traditional Name: 6-benzyl-2-thioxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Formula: C14H16N3OS+ MolecularWeight: 274.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1NC(=S)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC2=C1NC(=S)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C14H15N3OS/c18-13-11-9-17(8-10-4-2-1-3-5-10)7-6-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)/p+1