N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C24H25N5O4 MolecularWeight: 447.4864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c30-29(31)22-23(27-19-6-7-20-21(15-19)33-13-12-32-20)25-16-26-24(22)28-10-8-18(9-11-28)14-17-4-2-1-3-5-17/h1-7,15-16,18H,8-14H2,(H,25,26,27)