N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H23N7O3/c1-26-11-13-27(14-12-26)25-21-19(28(29)30)20(22-15-23-21)24-16-7-9-18(10-8-16)31-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,22,23,24,25)