N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-12-3-2-6-22(10-12)18-16(23(24)25)17(19-11-20-18)21-13-4-5-14-15(9-13)27-8-7-26-14/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,19,20,21)