N4-(4-butoxyphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-3-5-11-25-14-8-6-13(7-9-14)21-17-15(22(23)24)16(18-10-4-2)19-12-20-17/h4,6-9,12H,2-3,5,10-11H2,1H3,(H2,18,19,20,21)