N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinamine IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amine Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C17H16N6O4/c1-11-6-16(21-17(20-11)22-9-12(7-19-22)23(24)25)18-8-13-10-26-14-4-2-3-5-15(14)27-13/h2-7,9,13H,8,10H2,1H3,(H,18,20,21)/t13-/m0/s1