2-azanyl-2-(naphthalen-1-ylmethyl)-3-propyl-6-pyrimidin-2-yl-4-sulfanylidene-hexanoic acid

Systemtic Name: 2-azanyl-2-(naphthalen-1-ylmethyl)-3-propyl-6-pyrimidin-2-yl-4-sulfanylidene-hexanoic acid Openeye Name: 2-amino-2-(1-naphthylmethyl)-3-propyl-6-pyrimidin-2-yl-4-thioxo-hexanoic acid CAS Name: 2-amino-2-(1-naphthalenylmethyl)-3-propyl-6-(2-pyrimidinyl)-4-sulfanylidenehexanoic acid IUPAC Name: 2-amino-2-(naphthalen-1-ylmethyl)-3-propyl-6-pyrimidin-2-yl-4-sulfanylidenehexanoic acid Traditional Name: 2-amino-2-(1-naphthylmethyl)-3-propyl-6-(2-pyrimidyl)-4-thioxo-hexanoic acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=S)CCC1=NC=CC=N1)C(CC2=CC=CC3=CC=CC=C32)(C(=O)O)N

Isomeric SMILES

CCCC(C(=S)CCC1=NC=CC=N1)C(CC2=CC=CC3=CC=CC=C32)(C(=O)O)N

InChI

InChI=1S/C24H27N3O2S/c1-2-7-20(21(30)12-13-22-26-14-6-15-27-22)24(25,23(28)29)16-18-10-5-9-17-8-3-4-11-19(17)18/h3-6,8-11,14-15,20H,2,7,12-13,16,25H2,1H3,(H,28,29)