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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-(2-oxolanylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C19H23ClN6O3 MolecularWeight: 418.87732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H23ClN6O3/c20-14-3-1-4-15(11-14)24-6-8-25(9-7-24)19-17(26(27)28)18(22-13-23-19)21-12-16-5-2-10-29-16/h1,3-4,11,13,16H,2,5-10,12H2,(H,21,22,23)