N-(4-butylphenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2S/c1-2-3-4-14-5-9-16(10-6-14)24-19-18(25(26)27)20(23-13-22-19)28-17-11-7-15(21)8-12-17/h5-13H,2-4H2,1H3,(H,22,23,24)