2-[4-chloranyl-6-(2,3-dihydro-1H-inden-4-ylamino)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-(2,3-dihydro-1H-inden-4-ylamino)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(indan-4-ylamino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(indan-4-ylamino)pyrimidin-2-yl]thio]acetic acid Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=CC=C2)NC3=CC(=NC(=N3)SCC(=O)O)Cl

Isomeric SMILES

C1CC2=C(C1)C(=CC=C2)NC3=CC(=NC(=N3)SCC(=O)O)Cl

InChI

InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)