2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-veratryl-propionamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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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)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)OC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H27ClN4O3S/c1-5-18-21(16-7-9-17(25)10-8-16)22(26)29-24(28-18)33-14(2)23(30)27-13-15-6-11-19(31-3)20(12-15)32-4/h6-12,14H,5,13H2,1-4H3,(H,27,30)(H2,26,28,29)