2-[4-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-(6-cumidino-5-nitro-pyrimidin-4-yl)piperazino]ethanol Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C19H26N6O3/c1-14(2)15-3-5-16(6-4-15)22-18-17(25(27)28)19(21-13-20-18)24-9-7-23(8-10-24)11-12-26/h3-6,13-14,26H,7-12H2,1-2H3,(H,20,21,22)