4-[[2-[(4-hydroxyphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]phenol

Systemtic Name: 4-[[2-[(4-hydroxyphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]phenol Openeye Name: 4-[[2-(4-hydroxy-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]phenol CAS Name: 4-[[2-(4-hydroxy-N-methylanilino)-5-nitro-4-pyrimidinyl]-methylamino]phenol IUPAC Name: 4-[[2-(4-hydroxy-N-methylanilino)-5-nitropyrimidin-4-yl]-methylamino]phenol Traditional Name: 4-[[2-(4-hydroxy-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]phenol Formula: C18H17N5O4 MolecularWeight: 367.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)O)C2=NC(=NC=C2[N+](=O)[O-])N(C)C3=CC=C(C=C3)O

Isomeric SMILES

CN(C1=CC=C(C=C1)O)C2=NC(=NC=C2[N+](=O)[O-])N(C)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H17N5O4/c1-21(12-3-7-14(24)8-4-12)17-16(23(26)27)11-19-18(20-17)22(2)13-5-9-15(25)10-6-13/h3-11,24-25H,1-2H3