3-[2-(2-azanylpyrimidin-5-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]benzoic acid

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]benzoic acid Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]benzoic acid CAS Name: 3-[2-(2-amino-5-pyrimidinyl)-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]benzoic acid IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]benzoic acid Formula: C21H18N6O3S MolecularWeight: 434.47102

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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(N=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O3S/c22-21-23-10-14(11-24-21)18-25-15-9-16(12-2-1-3-13(8-12)20(28)29)31-17(15)19(26-18)27-4-6-30-7-5-27/h1-3,8-11H,4-7H2,(H,28,29)(H2,22,23,24)