6-ethanoyl-5-methyl-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethanoyl-5-methyl-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazine-1,4-diiumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H29N5O3S+2 MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH+](CC3)CC(=O)N4CCCC4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH+](CC3)CC(=O)N4CCCC4)C(=O)C

InChI

InChI=1S/C20H27N5O3S/c1-13-17-19(28)21-15(22-20(17)29-18(13)14(2)26)11-23-7-9-24(10-8-23)12-16(27)25-5-3-4-6-25/h3-12H2,1-2H3,(H,21,22,28)/p+2