6-methyl-5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-phenyl-3-[2-(1-piperidin-1-iumyl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)NC(=S)N(C2=O)CC[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)NC(=S)N(C2=O)CC[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3OS2/c1-14-16(15-8-4-2-5-9-15)17-18(26-14)21-20(25)23(19(17)24)13-12-22-10-6-3-7-11-22/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,21,25)/p+1