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

Systemtic Name: 6-[(6-methyl-5-prop-2-enyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]naphthalene-2-carboxylic acid Openeye Name: 6-[[5-allyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]naphthalene-2-carboxylic acid CAS Name: 6-[[6-methyl-5-prop-2-enyl-2-(3-thiophenyl)-4-pyrimidinyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 6-[(6-methyl-5-prop-2-enyl-2-thiophen-3-ylpyrimidin-4-yl)amino]naphthalene-2-carboxylic acid Traditional Name: 6-[[5-allyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]-2-naphthoic acid Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)CC=C

InChI

InChI=1S/C23H19N3O2S/c1-3-4-20-14(2)24-21(18-9-10-29-13-18)26-22(20)25-19-8-7-15-11-17(23(27)28)6-5-16(15)12-19/h3,5-13H,1,4H2,2H3,(H,27,28)(H,24,25,26)