6-methyl-3-[2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-[2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-isopropylpiperazin-4-ium-1-yl)ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-(4-propan-2-yl-1-piperazin-4-iumyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-3-[2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-isopropylpiperazin-4-ium-1-yl)ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=CN(C2=O)CCN3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC2=C(S1)N=CN(C2=O)CCN3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C16H24N4OS/c1-12(2)19-7-4-18(5-8-19)6-9-20-11-17-15-14(16(20)21)10-13(3)22-15/h10-12H,4-9H2,1-3H3/p+1