5-[3-(dimethylamino)propoxy]-2-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenol

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CN(C)CCCOC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])O

InChI

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