N-(4-butylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C20H26N4OS/c1-2-3-6-16-7-9-17(10-8-16)23-19(25)14-26-20-13-18(21-15-22-20)24-11-4-5-12-24/h7-10,13,15H,2-6,11-12,14H2,1H3,(H,23,25)