5-methyl-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-carbonyl)-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-carbonyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperidino)ethyl]-5-methyl-6-(4-methylpiperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C21H29N5O3S/c1-14-4-6-24(7-5-14)16(27)12-26-13-22-19-17(20(26)28)15(2)18(30-19)21(29)25-10-8-23(3)9-11-25/h13-14H,4-12H2,1-3H3/p+1