N-[2-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-5-chloranyl-N-[(4-methylphenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[2-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-5-chloranyl-N-[(4-methylphenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-5-chloro-2-methylsulfanyl-N-(p-tolylmethyl)pyrimidine-4-carboxamide CAS Name: N-[2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-chloro-N-[(4-methylphenyl)methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-chloro-N-[(4-methylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-5-chloro-N-(4-methylbenzyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C24H23ClN4O4S MolecularWeight: 498.98182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(C2=CC3=C(C=C2)OCCO3)C(=O)N)C(=O)C4=NC(=NC=C4Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN(C(C2=CC3=C(C=C2)OCCO3)C(=O)N)C(=O)C4=NC(=NC=C4Cl)SC

InChI

InChI=1S/C24H23ClN4O4S/c1-14-3-5-15(6-4-14)13-29(23(31)20-17(25)12-27-24(28-20)34-2)21(22(26)30)16-7-8-18-19(11-16)33-10-9-32-18/h3-8,11-12,21H,9-10,13H2,1-2H3,(H2,26,30)