N6-(2,5-dimethoxyphenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,5-dimethoxyphenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,5-dimethoxyphenyl)-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,5-dimethoxyphenyl)-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,5-dimethoxyphenyl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-1-methyl-ethyl)amine Formula: C16H21N5O5 MolecularWeight: 363.36844

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H21N5O5/c1-10(8-24-2)19-15-14(21(22)23)16(18-9-17-15)20-12-7-11(25-3)5-6-13(12)26-4/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19,20)