2-[4-(2-methylpropylamino)-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-methylpropylamino)-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(isobutylamino)-5-(2-thienylmethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(2-methylpropylamino)-5-(thiophen-2-ylmethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(2-methylpropylamino)-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(isobutylamino)-5-(2-thenyl)pyrimidin-2-yl]thio]acetic acid Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1CC2=CC=CS2)SCC(=O)O

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1CC2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C15H19N3O2S2/c1-10(2)7-16-14-11(6-12-4-3-5-21-12)8-17-15(18-14)22-9-13(19)20/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)(H,16,17,18)