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

Systemtic Name: 2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]CC(=O)[O-])C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+]CC(=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S/c1-11-14-16(19-9-13(22)23)20-10-21-17(14)26-15(11)18(24)25-8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,22,23)(H,19,20,21)