5-[4-[[4-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[[4-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[[4-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[[4-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[[4-(1,3-dioxolan-2-yl)phenyl]methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-[4-(1,3-dioxolan-2-yl)benzyl]amine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C4OCCO4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C4OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-2-16-19(20(23)27-22(24)26-16)15-7-8-17(18(11-15)28(29)30)25-12-13-3-5-14(6-4-13)21-31-9-10-32-21/h3-8,11,21,25H,2,9-10,12H2,1H3,(H4,23,24,26,27)