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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H23ClN6O3/c1-28-11-3-6-20-17-16(25(26)27)18(22-13-21-17)24-9-7-23(8-10-24)15-5-2-4-14(19)12-15/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,21,22)