4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]benzoic acid

Systemtic Name: 4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]benzoic acid Openeye Name: 4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]benzoic acid CAS Name: 4-[4-(1H-indol-5-ylamino)-6-thieno[3,2-d]pyrimidinyl]benzoic acid IUPAC Name: 4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]benzoic acid Traditional Name: 4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]benzoic acid Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)C(=O)O

InChI

InChI=1S/C21H14N4O2S/c26-21(27)13-3-1-12(2-4-13)18-10-17-19(28-18)20(24-11-23-17)25-15-5-6-16-14(9-15)7-8-22-16/h1-11,22H,(H,26,27)(H,23,24,25)