2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-piperonyl-propionamide Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O3S/c1-3-17-20(15-5-7-16(24)8-6-15)21(25)28-23(27-17)32-13(2)22(29)26-11-14-4-9-18-19(10-14)31-12-30-18/h4-10,13H,3,11-12H2,1-2H3,(H,26,29)(H2,25,27,28)