N-aminocarbonyl-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C18H22ClN5O2S MolecularWeight: 407.91758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O2S/c1-4-12-13(10-5-7-11(19)8-6-10)15(20)23-18(22-12)27-14(9(2)3)16(25)24-17(21)26/h5-9,14H,4H2,1-3H3,(H2,20,22,23)(H3,21,24,25,26)