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

Systemtic Name: N6-(4-butoxyphenyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-methyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-3-4-14-29-18-12-10-16(11-13-18)24-20-19(26(27)28)21(23-15-22-20)25(2)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,22,23,24)