5-nitro-N4-(2,3,4-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N4-(2,3,4-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: 5-nitro-N4-(2,3,4-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: 5-nitro-N4-(2,3,4-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-nitro-4-N-(2,3,4-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-(2,3,4-trimethoxyphenyl)amine Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])N)OC)OC

InChI

InChI=1S/C13H15N5O5/c1-21-9-5-4-7(10(22-2)11(9)23-3)16-12-8(18(19)20)6-15-13(14)17-12/h4-6H,1-3H3,(H3,14,15,16,17)