5,6-dimethyl-2-[(4-prop-2-enoylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(4-prop-2-enoylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-prop-2-enoylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(1-oxoprop-2-enyl)-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-prop-2-enoylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acryloylpiperazin-1-ium-1-yl)methyl]-5,6-dimethyl-3H-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)NC(=N2)C[NH+]3CCN(CC3)C(=O)C=C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-4-13(21)20-7-5-19(6-8-20)9-12-17-15(22)14-10(2)11(3)23-16(14)18-12/h4H,1,5-9H2,2-3H3,(H,17,18,22)/p+1