3-[2-(6-azanylpyridin-3-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]benzoic acid

Systemtic Name: 3-[2-(6-azanylpyridin-3-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]benzoic acid Openeye Name: 3-[2-(6-amino-3-pyridyl)-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]benzoic acid CAS Name: 3-[2-(6-amino-3-pyridinyl)-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]benzoic acid IUPAC Name: 3-[2-(6-aminopyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid Traditional Name: 3-[2-(6-amino-3-pyridyl)-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]benzoic acid Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC3=C2SC(=C3)C4=CC(=CC=C4)C(=O)O)C5=CN=C(C=C5)N

Isomeric SMILES

C1COCCN1C2=NC(=NC3=C2SC(=C3)C4=CC(=CC=C4)C(=O)O)C5=CN=C(C=C5)N

InChI

InChI=1S/C22H19N5O3S/c23-18-5-4-15(12-24-18)20-25-16-11-17(13-2-1-3-14(10-13)22(28)29)31-19(16)21(26-20)27-6-8-30-9-7-27/h1-5,10-12H,6-9H2,(H2,23,24)(H,28,29)