2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-chroman-4-yl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(3,4-dihydro-2H-1-benzopyran-4-yl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-chroman-4-yl-acetamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2CCOC3=CC=CC=C23)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2CCOC3=CC=CC=C23)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-2-17-21(14-7-9-15(24)10-8-14)22(25)28-23(27-17)31-13-20(29)26-18-11-12-30-19-6-4-3-5-16(18)19/h3-10,18H,2,11-13H2,1H3,(H,26,29)(H2,25,27,28)