N-cycloheptyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-cycloheptyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-cycloheptyl-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-cycloheptyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: cycloheptyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c28-27(29)19-20(24-17-8-4-1-2-5-9-17)22-16-23-21(19)26-14-12-25(13-15-26)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,1-2,4-5,8-9,12-15H2,(H,22,23,24)