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

Systemtic Name: N-(4-butylphenyl)-6-chloranyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-chloro-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-chloro-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-chloro-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-(6-chloro-5-nitro-pyrimidin-4-yl)amine Formula: C14H15ClN4O2 MolecularWeight: 306.7475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O2/c1-2-3-4-10-5-7-11(8-6-10)18-14-12(19(20)21)13(15)16-9-17-14/h5-9H,2-4H2,1H3,(H,16,17,18)