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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-p-anisyl-propionamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NCC2=CC=C(C=C2)OC)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NCC2=CC=C(C=C2)OC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-4-19-20(16-7-9-17(24)10-8-16)21(25)28-23(27-19)31-14(2)22(29)26-13-15-5-11-18(30-3)12-6-15/h5-12,14H,4,13H2,1-3H3,(H,26,29)(H2,25,27,28)