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

Systemtic Name: N-(4-butoxyphenyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H23N5O4/c1-2-3-10-27-15-6-4-14(5-7-15)21-17-16(23(24)25)18(20-13-19-17)22-8-11-26-12-9-22/h4-7,13H,2-3,8-12H2,1H3,(H,19,20,21)