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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O2S/c1-4-12-13(10-5-7-11(18)8-6-10)14(19)22-17(21-12)26-9(2)15(24)23-16(25)20-3/h5-9H,4H2,1-3H3,(H2,19,21,22)(H2,20,23,24,25)