5-nitro-N-(oxolan-2-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(2-oxolanylmethyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C19H24N6O3 MolecularWeight: 384.43226

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O3/c26-25(27)17-18(20-13-16-7-4-12-28-16)21-14-22-19(17)24-10-8-23(9-11-24)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,21,22)