N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-nitro-6-(1-piperidyl)pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-nitro-6-(1-piperidinyl)-2-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-nitro-6-piperidin-1-ylpyrimidin-2-amine Traditional Name: (4-methyl-5-nitro-6-piperidino-pyrimidin-2-yl)-piperonyl-amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCC2=CC3=C(C=C2)OCO3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NCC2=CC3=C(C=C2)OCO3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-12-16(23(24)25)17(22-7-3-2-4-8-22)21-18(20-12)19-10-13-5-6-14-15(9-13)27-11-26-14/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,19,20,21)