N4-butyl-N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-methyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H23N5O3/c1-4-5-10-21(2)17-15(22(23)24)16(19-12-20-17)18-11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19,20)