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

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-5-12(2)10-15-13(3)26-19-17(15)18(25)20-16(21-19)11-22-6-8-23(9-7-22)14(4)24/h12H,5-11H2,1-4H3,(H,20,21,25)/p+1/t12-/m1/s1