N-[4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c1-13(27)24-15-5-7-16(8-6-15)25-20-18(26(28)29)19(22-12-23-20)21-11-14-3-9-17(30-2)10-4-14/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,21,22,23,25)