2-(ethylamino)-5-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-phenyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(ethylamino)-5-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-phenyl-thiophene-3-carboxylic acid Openeye Name: 2-(ethylamino)-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-phenyl-thiophene-3-carboxylic acid CAS Name: 2-(ethylamino)-5-[2-(3-methoxyanilino)-4-pyrimidinyl]-4-phenyl-3-thiophenecarboxylic acid IUPAC Name: 2-(ethylamino)-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-phenylthiophene-3-carboxylic acid Traditional Name: 2-(ethylamino)-5-[2-(m-anisidino)pyrimidin-4-yl]-4-phenyl-3-thenoic acid Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)OC)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCNC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)OC)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H22N4O3S/c1-3-25-22-20(23(29)30)19(15-8-5-4-6-9-15)21(32-22)18-12-13-26-24(28-18)27-16-10-7-11-17(14-16)31-2/h4-14,25H,3H2,1-2H3,(H,29,30)(H,26,27,28)