N4-butyl-N4-methyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

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