3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(5-methylisoxazol-3-yl)methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(5-methyl-3-isoxazolyl)methyl]-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(5-methylisoxazol-3-yl)methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=CC(=NO1)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCCCC5

InChI

InChI=1S/C21H22N4O2S2/c1-14-10-15(23-27-14)11-25-18(12-24-7-3-2-4-8-24)22-20-19(21(25)26)16(13-29-20)17-6-5-9-28-17/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3/p+1