2,5-dimethyl-6-piperazin-4-ium-1-ylcarbonyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2,5-dimethyl-6-piperazin-4-ium-1-ylcarbonyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2,5-dimethyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2,5-dimethyl-6-[oxo(1-piperazin-4-iumyl)methyl]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2,5-dimethyl-6-(piperazin-4-ium-1-carbonyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2,5-dimethyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC=C)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC=C)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H20N4O2S/c1-4-7-20-11(3)18-14-12(15(20)21)10(2)13(23-14)16(22)19-8-5-17-6-9-19/h4,17H,1,5-9H2,2-3H3/p+1