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

Systemtic Name: 2-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]thio]-1H-pyrimidin-6-one Formula: C17H20N5O2S2+ MolecularWeight: 390.503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C[NH+]3CCOCC3)SC4=NC=CC(=O)N4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C[NH+]3CCOCC3)SC4=NC=CC(=O)N4)C

InChI

InChI=1S/C17H19N5O2S2/c1-10-11(2)25-15-14(10)16(26-17-18-4-3-13(23)21-17)20-12(19-15)9-22-5-7-24-8-6-22/h3-4H,5-9H2,1-2H3,(H,18,21,23)/p+1