1-[3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-13(26)15-4-3-5-16(10-15)24-20-18(25(27)28)19(22-12-23-20)21-11-14-6-8-17(29-2)9-7-14/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)