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

Systemtic Name: 2-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-2-22-11-5-3-10(4-6-11)12-8-23-16-14(12)15(18-9-19-16)17-7-13(20)21/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,17,18,19)