5-methyl-N-(3-methylphenyl)-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-(3-methylphenyl)-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-(m-tolyl)-4-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-(3-methylphenyl)-4-oxo-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-(3-methylphenyl)-4-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5-methyl-N-(m-tolyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H27N6O3S+ MolecularWeight: 503.59598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C26H26N6O3S/c1-17-6-5-7-19(14-17)29-24(34)23-18(2)22-25(36-23)28-16-32(26(22)35)15-21(33)31-12-10-30(11-13-31)20-8-3-4-9-27-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,29,34)/p+1