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

Systemtic Name: N-(4-butylphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (4-butylphenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2S/c1-2-3-7-15-10-12-16(13-11-15)23-19-18(24(25)26)20(22-14-21-19)27-17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,21,22,23)