2-[4-(2-azanylethylamino)-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-azanylethylamino)-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(2-aminoethylamino)-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(2-aminoethylamino)-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(2-aminoethylamino)-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(2-aminoethylamino)-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]acetic acid Formula: C15H16FN5O3S MolecularWeight: 365.382643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2NCCN)SCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2NCCN)SCC(=O)O)F

InChI

InChI=1S/C15H16FN5O3S/c16-9-1-3-10(4-2-9)20-14(24)11-7-19-15(25-8-12(22)23)21-13(11)18-6-5-17/h1-4,7H,5-6,8,17H2,(H,20,24)(H,22,23)(H,18,19,21)