N-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethoxyphenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(2,5-dimethoxyphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethoxyphenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C19H18N4O4S/c1-12-4-7-14(8-5-12)28-19-17(23(24)25)18(20-11-21-19)22-15-10-13(26-2)6-9-16(15)27-3/h4-11H,1-3H3,(H,20,21,22)