2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-thieno[2,3-d]pyrimidinyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]thio]-1H-pyrimidin-6-one Formula: C19H24N5OS2+ MolecularWeight: 402.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C)C(=N2)SC4=NC=CC(=O)N4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C)C(=N2)SC4=NC=CC(=O)N4

InChI

InChI=1S/C19H23N5OS2/c1-11-5-8-24(9-6-11)10-14-21-17-16(12(2)13(3)26-17)18(22-14)27-19-20-7-4-15(25)23-19/h4,7,11H,5-6,8-10H2,1-3H3,(H,20,23,25)/p+1