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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[(3-oxo-1-piperazin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-ketopiperazin-1-ium-1-yl)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCNC(=O)C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCNC(=O)C4)C

InChI

InChI=1S/C19H20N4O2S/c1-11-3-5-13(6-4-11)16-12(2)26-19-17(16)18(25)21-14(22-19)9-23-8-7-20-15(24)10-23/h3-6H,7-10H2,1-2H3,(H,20,24)(H,21,22,25)/p+1