6-(4-methylphenyl)sulfanyl-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-19-12-14-22(15-13-19)32-25-23(29(30)31)24(26-18-27-25)28(16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3