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

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N,N-dibenzyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: dibenzyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O2S/c29-28(30)22-23(25-18-26-24(22)31-21-14-8-3-9-15-21)27(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,18H,16-17H2