2-diethylaminoethyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-3-29(4-2)14-15-31-25(30)19-10-12-20(13-11-19)28-23-22-21(18-8-6-5-7-9-18)16-32-24(22)27-17-26-23/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,27,28)