5-butyl-4-methyl-6-[3-[3-(4-methylphenyl)propylsulfanyl]-1,2-diazirin-1-yl]pyrimidin-2-amine

Systemtic Name: 5-butyl-4-methyl-6-[3-[3-(4-methylphenyl)propylsulfanyl]-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 5-butyl-4-methyl-6-[3-[3-(p-tolyl)propylsulfanyl]diazirin-1-yl]pyrimidin-2-amine CAS Name: 5-butyl-4-methyl-6-[3-[3-(4-methylphenyl)propylthio]-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 5-butyl-4-methyl-6-[3-[3-(4-methylphenyl)propylsulfanyl]diazirin-1-yl]pyrimidin-2-amine Traditional Name: [5-butyl-4-methyl-6-[3-[3-(p-tolyl)propylthio]diazirin-1-yl]pyrimidin-2-yl]amine Formula: C20H27N5S MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SCCCC3=CC=C(C=C3)C)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SCCCC3=CC=C(C=C3)C)N)C

InChI

InChI=1S/C20H27N5S/c1-4-5-8-17-15(3)22-19(21)23-18(17)25-20(24-25)26-13-6-7-16-11-9-14(2)10-12-16/h9-12H,4-8,13H2,1-3H3,(H2,21,22,23)