N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5/c1-11-8-15(23-29-11)22-18-16(24(25)26)17(20-10-21-18)19-7-6-12-4-5-13(27-2)14(9-12)28-3/h4-5,8-10H,6-7H2,1-3H3,(H2,19,20,21,22,23)