5-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]-1H-indole-2-carboxylic acid CAS Name: 5-[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]-1H-indole-2-carboxylic acid Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC(=C5)C(=O)O

InChI

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