N-(4-butylphenyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H23N5O3/c1-2-3-4-14-5-7-15(8-6-14)21-17-16(23(24)25)18(20-13-19-17)22-9-11-26-12-10-22/h5-8,13H,2-4,9-12H2,1H3,(H,19,20,21)