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

Systemtic Name: 2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-10(2)11-3-5-12(6-4-11)13-8-23-17-15(13)16(19-9-20-17)18-7-14(21)22/h3-6,8-10H,7H2,1-2H3,(H,21,22)(H,18,19,20)