5-[4-[(2-methoxyphenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine

Systemtic Name: 5-[4-[(2-methoxyphenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine Openeye Name: 5-[4-[(2-methoxyphenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine CAS Name: 5-[4-[(2-methoxyphenyl)methylamino]-3-nitrophenyl]-2-pyrimidinamine IUPAC Name: 5-[4-[(2-methoxyphenyl)methylamino]-3-nitrophenyl]pyrimidin-2-amine Traditional Name: [4-(2-aminopyrimidin-5-yl)-2-nitro-phenyl]-o-anisyl-amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-26-17-5-3-2-4-13(17)9-20-15-7-6-12(8-16(15)23(24)25)14-10-21-18(19)22-11-14/h2-8,10-11,20H,9H2,1H3,(H2,19,21,22)