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

Systemtic Name: N-(4-butoxyphenyl)-6-chloranyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-chloro-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-chloro-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-chloro-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(6-chloro-5-nitro-pyrimidin-4-yl)amine Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O3/c1-2-3-8-22-11-6-4-10(5-7-11)18-14-12(19(20)21)13(15)16-9-17-14/h4-7,9H,2-3,8H2,1H3,(H,16,17,18)