N4-cyclopropyl-5-nitro-N2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-5-nitro-N2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-5-nitro-N2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-5-nitro-N2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-5-nitro-2-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[5-nitro-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]pyrimidin-4-yl]amine Formula: C18H25N9O2 MolecularWeight: 399.4502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H25N9O2/c28-27(29)15-13-22-17(24-16(15)23-14-3-4-14)19-7-2-8-25-9-11-26(12-10-25)18-20-5-1-6-21-18/h1,5-6,13-14H,2-4,7-12H2,(H2,19,22,23,24)