N6-(4-butoxyphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-butoxyphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-butoxyphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-3-4-14-30-19-12-10-18(11-13-19)25-21-20(27(28)29)22(24-16-23-21)26(2)15-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,24,25)