4-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O2/c1-12(2)18-20-13(3)10-17(21-18)23-8-6-22(7-9-23)16-5-4-14(24(25)26)11-15(16)19/h4-5,10-12H,6-9H2,1-3H3