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

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(3-oxo-1-piperazin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-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-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCNC(=O)C3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCNC(=O)C3)C

InChI

InChI=1S/C17H24N4O2S/c1-4-10(2)7-12-11(3)24-17-15(12)16(23)19-13(20-17)8-21-6-5-18-14(22)9-21/h10H,4-9H2,1-3H3,(H,18,22)(H,19,20,23)/p+1/t10-/m0/s1