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

Systemtic Name: (2S)-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(ethylcarbamoyl)propionamide Formula: C18H22ClN5O2S MolecularWeight: 407.91758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C(=NC(=N1)S[C@@H](C)C(=O)NC(=O)NCC)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClN5O2S/c1-4-13-14(11-6-8-12(19)9-7-11)15(20)23-18(22-13)27-10(3)16(25)24-17(26)21-5-2/h6-10H,4-5H2,1-3H3,(H2,20,22,23)(H2,21,24,25,26)/t10-/m0/s1