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

Systemtic Name: N6-butyl-N4-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N5O3/c1-3-4-9-17-15-14(21(22)23)16(20-11-19-15)18-10-12-5-7-13(24-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,17,18,19,20)