2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-isobutyl-propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-isobutyl-propionamide Formula: C19H25ClN4OS MolecularWeight: 392.946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NCC(C)C)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NCC(C)C)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H25ClN4OS/c1-5-15-16(13-6-8-14(20)9-7-13)17(21)24-19(23-15)26-12(4)18(25)22-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,22,25)(H2,21,23,24)