6-[(6-ethyl-5-prop-2-enyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]naphthalene-2-carboxylic acid

Systemtic Name: 6-[(6-ethyl-5-prop-2-enyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]naphthalene-2-carboxylic acid Openeye Name: 6-[[5-allyl-6-ethyl-2-(3-thienyl)pyrimidin-4-yl]amino]naphthalene-2-carboxylic acid CAS Name: 6-[[6-ethyl-5-prop-2-enyl-2-(3-thiophenyl)-4-pyrimidinyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 6-[(6-ethyl-5-prop-2-enyl-2-thiophen-3-ylpyrimidin-4-yl)amino]naphthalene-2-carboxylic acid Traditional Name: 6-[[5-allyl-6-ethyl-2-(3-thienyl)pyrimidin-4-yl]amino]-2-naphthoic acid Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)CC=C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)CC=C

InChI

InChI=1S/C24H21N3O2S/c1-3-5-20-21(4-2)26-22(18-10-11-30-14-18)27-23(20)25-19-9-8-15-12-17(24(28)29)7-6-16(15)13-19/h3,6-14H,1,4-5H2,2H3,(H,28,29)(H,25,26,27)