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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propionate Formula: C18H19N3O4S MolecularWeight: 373.42616

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-18(2,17(22)23)21-15-14-11(8-26-16(14)20-9-19-15)10-5-6-12(24-3)13(7-10)25-4/h5-9H,1-4H3,(H,22,23)(H,19,20,21)