N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-piperonyl-pyrimidine-4-carboxamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-13-3-2-4-15(7-13)11-29-21-24-10-16(22)19(25-21)20(26)23-9-14-5-6-17-18(8-14)28-12-27-17/h2-8,10H,9,11-12H2,1H3,(H,23,26)