6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-propan-2-yl-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-propan-2-yl-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-isopropyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-propan-2-yl-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-propan-2-ylpyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H21ClN6O2/c1-12(2)21-16-15(24(25)26)17(20-11-19-16)23-8-6-22(7-9-23)14-5-3-4-13(18)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,19,20,21)