3,5,6-trimethyl-2-[(2R)-pyrrolidin-1-ium-2-yl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[(2R)-pyrrolidin-1-ium-2-yl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[(2R)-pyrrolidin-1-ium-2-yl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[(2R)-2-pyrrolidin-1-iumyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[(2R)-pyrrolidin-1-ium-2-yl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(2R)-pyrrolidin-1-ium-2-yl]thieno[2,3-d]pyrimidin-4-one Formula: C13H18N3OS+ MolecularWeight: 264.36652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3CCC[NH2+]3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)[C@H]3CCC[NH2+]3)C)C

InChI

InChI=1S/C13H17N3OS/c1-7-8(2)18-12-10(7)13(17)16(3)11(15-12)9-5-4-6-14-9/h9,14H,4-6H2,1-3H3/p+1/t9-/m1/s1