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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4/c29-28(30)21-22(26-18-6-7-19-20(13-18)32-15-31-19)24-14-25-23(21)27-10-8-17(9-11-27)12-16-4-2-1-3-5-16/h1-7,13-14,17H,8-12,15H2,(H,24,25,26)