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

Systemtic Name: N4-cycloheptyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c29-28(30)21-22(26-17-8-4-1-2-5-9-17)24-16-25-23(21)27-18-12-14-20(15-13-18)31-19-10-6-3-7-11-19/h3,6-7,10-17H,1-2,4-5,8-9H2,(H2,24,25,26,27)