N-(4-butoxyphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-2-3-13-27-16-11-9-15(10-12-16)23-19-18(24(25)26)20(22-14-21-19)28-17-7-5-4-6-8-17/h4-12,14H,2-3,13H2,1H3,(H,21,22,23)