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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(1-methoxypropan-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methoxy-1-methyl-ethyl)amine Formula: C18H23ClN6O3 MolecularWeight: 406.86662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN6O3/c1-13(11-28-2)22-17-16(25(26)27)18(21-12-20-17)24-8-6-23(7-9-24)15-5-3-4-14(19)10-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,20,21,22)