N2-[4-[3-(diethylamino)propoxy]phenyl]-N4-methyl-5-nitro-N4-pyridin-2-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[4-[3-(diethylamino)propoxy]phenyl]-N4-methyl-5-nitro-N4-pyridin-2-yl-pyrimidine-2,4-diamine Openeye Name: N2-[4-[3-(diethylamino)propoxy]phenyl]-N4-methyl-5-nitro-N4-(2-pyridyl)pyrimidine-2,4-diamine CAS Name: N2-[4-[3-(diethylamino)propoxy]phenyl]-N4-methyl-5-nitro-N4-(2-pyridinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[4-[3-(diethylamino)propoxy]phenyl]-4-N-methyl-5-nitro-4-N-pyridin-2-ylpyrimidine-2,4-diamine Traditional Name: diethyl-[3-[4-[[4-[methyl(2-pyridyl)amino]-5-nitro-pyrimidin-2-yl]amino]phenoxy]propyl]amine Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)N(C)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)N(C)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N7O3/c1-4-29(5-2)15-8-16-33-19-12-10-18(11-13-19)26-23-25-17-20(30(31)32)22(27-23)28(3)21-9-6-7-14-24-21/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,26,27)