N-(4-butoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H23N5O3/c1-2-3-12-26-15-8-6-14(7-9-15)21-17-16(23(24)25)18(20-13-19-17)22-10-4-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,19,20,21)