N2-[3-(dimethylamino)propyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(dimethylamino)propyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-N4-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C17H25N7O3 MolecularWeight: 375.4255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN(C)C

InChI

InChI=1S/C17H25N7O3/c1-4-27-13-8-6-12(7-9-13)20-16-14(24(25)26)15(18)21-17(22-16)19-10-5-11-23(2)3/h6-9H,4-5,10-11H2,1-3H3,(H4,18,19,20,21,22)