N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[2-[(phenylmethylsulfanyl)methylsulfanyl]phenyl]methanamide

Systemtic Name: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[2-[(phenylmethylsulfanyl)methylsulfanyl]phenyl]methanamide Openeye Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[2-(benzylsulfanylmethylsulfanyl)phenyl]formamide CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[(phenylmethylthio)methylthio]phenyl]formamide IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[2-(benzylsulfanylmethylsulfanyl)phenyl]formamide Traditional Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[2-[(benzylthio)methylthio]phenyl]formamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C2=CC=CC=C2SCSCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C2=CC=CC=C2SCSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-16-23-11-18(21(22)24-16)12-25(14-26)19-9-5-6-10-20(19)28-15-27-13-17-7-3-2-4-8-17/h2-11,14H,12-13,15H2,1H3,(H2,22,23,24)