2-[4-[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(2-methyl-8-quinolinyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[(2-methylquinolin-8-yl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CCO)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CCO)C=C1

InChI

InChI=1S/C20H23N7O3/c1-14-5-6-15-3-2-4-16(17(15)23-14)24-19-18(27(29)30)20(22-13-21-19)26-9-7-25(8-10-26)11-12-28/h2-6,13,28H,7-12H2,1H3,(H,21,22,24)