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

Systemtic Name: N-(4-butylphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (4-butylphenyl)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H23N5O2/c1-2-3-6-14-7-9-15(10-8-14)21-17-16(23(24)25)18(20-13-19-17)22-11-4-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H,19,20,21)