3-[(3-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(3-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-3-(m-tolylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-methylphenyl)methyl]-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-methylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-methylbenzyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H24N3O2S2+ MolecularWeight: 438.58556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCOCC5

InChI

InChI=1S/C23H23N3O2S2/c1-16-4-2-5-17(12-16)13-26-20(14-25-7-9-28-10-8-25)24-22-21(23(26)27)18(15-30-22)19-6-3-11-29-19/h2-6,11-12,15H,7-10,13-14H2,1H3/p+1