2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propionate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H17N3O3S/c1-17(2,16(21)22)20-14-13-12(8-24-15(13)19-9-18-14)10-4-6-11(23-3)7-5-10/h4-9H,1-3H3,(H,21,22)(H,18,19,20)