2-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]CC(=O)[O-])C(=O)OC3CCCCC3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+]CC(=O)[O-])C(=O)OC3CCCCC3

InChI

InChI=1S/C16H19N3O4S/c1-9-12-14(17-7-11(20)21)18-8-19-15(12)24-13(9)16(22)23-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,20,21)(H,17,18,19)