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

Systemtic Name: 2-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-methyl-2-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)ammonio]propionate Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)[NH2+]C(C)(C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)[NH2+]C(C)(C)C(=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-4-24-12-7-5-11(6-8-12)13-9-25-16-14(13)15(19-10-20-16)21-18(2,3)17(22)23/h5-10H,4H2,1-3H3,(H,22,23)(H,19,20,21)