N2,N4-bis[3-(dimethylamino)phenyl]-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis[3-(dimethylamino)phenyl]-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis[3-(dimethylamino)phenyl]-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis[3-(dimethylamino)phenyl]-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis[3-(dimethylamino)phenyl]-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [3-[[2-[3-(dimethylamino)anilino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]-dimethyl-amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)N(C)C)NC3=CC(=CC=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)N(C)C)NC3=CC(=CC=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O2/c1-14-19(28(29)30)20(23-15-8-6-10-17(12-15)26(2)3)25-21(22-14)24-16-9-7-11-18(13-16)27(4)5/h6-13H,1-5H3,(H2,22,23,24,25)