1-(dimethylamino)-3-[4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]propan-2-ol

Systemtic Name: 1-(dimethylamino)-3-[4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]propan-2-ol Openeye Name: 1-[4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[(4-anilino-5-nitro-2-pyrimidinyl)amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[(4-anilino-5-nitropyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H24N6O4/c1-26(2)13-17(28)14-31-18-10-8-16(9-11-18)24-21-22-12-19(27(29)30)20(25-21)23-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,22,23,24,25)