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

Systemtic Name: propyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: propyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 4-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid propyl ester hydrochloride IUPAC Name: propyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid propyl ester hydrochloride Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H19N3O2S.ClH/c1-2-12-27-22(26)16-8-10-17(11-9-16)25-20-19-18(15-6-4-3-5-7-15)13-28-21(19)24-14-23-20;/h3-11,13-14H,2,12H2,1H3,(H,23,24,25);1H