1-[3-[[6-[bis(2-methylpropyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[bis(2-methylpropyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(diisobutylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[bis(2-methylpropyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(diisobutylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C20H27N5O3/c1-13(2)10-24(11-14(3)4)20-18(25(27)28)19(21-12-22-20)23-17-8-6-7-16(9-17)15(5)26/h6-9,12-14H,10-11H2,1-5H3,(H,21,22,23)