6-[(5,6-diethyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]naphthalene-2-carboxylic acid

Systemtic Name: 6-[(5,6-diethyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]naphthalene-2-carboxylic acid Openeye Name: 6-[[5,6-diethyl-2-(3-thienyl)pyrimidin-4-yl]amino]naphthalene-2-carboxylic acid CAS Name: 6-[[5,6-diethyl-2-(3-thiophenyl)-4-pyrimidinyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 6-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]naphthalene-2-carboxylic acid Traditional Name: 6-[[5,6-diethyl-2-(3-thienyl)pyrimidin-4-yl]amino]-2-naphthoic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1NC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C4=CSC=C4)CC

Isomeric SMILES

CCC1=C(N=C(N=C1NC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C4=CSC=C4)CC

InChI

InChI=1S/C23H21N3O2S/c1-3-19-20(4-2)25-21(17-9-10-29-13-17)26-22(19)24-18-8-7-14-11-16(23(27)28)6-5-15(14)12-18/h5-13H,3-4H2,1-2H3,(H,27,28)(H,24,25,26)