3-butyl-5-methyl-6-piperazin-4-ium-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-5-methyl-6-piperazin-4-ium-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-5-methyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-5-methyl-6-[oxo(1-piperazin-4-iumyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-5-methyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-5-methyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4O2S/c1-3-4-7-20-10-18-14-12(15(20)21)11(2)13(23-14)16(22)19-8-5-17-6-9-19/h10,17H,3-9H2,1-2H3/p+1