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methyl 6-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]hexanoate

methyl 6-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]hexanoate

Systemtic Name:methyl 6-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]hexanoate
Openeye Name:methyl 6-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]hexanoate
CAS Name:6-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]amino]hexanoic acid methyl ester
IUPAC Name:methyl 6-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]hexanoate
Traditional Name:6-[[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]amino]hexanoic acid methyl ester
Formula: C21H29N5O7
MolecularWeight: 463.48426
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCCCCCC(=O)OC)[N+](=O)[O-]


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCCCCCC(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C21H29N5O7/c1-30-15-10-14(11-16(31-2)19(15)33-4)12-23-21-18(26(28)29)20(24-13-25-21)22-9-7-5-6-8-17(27)32-3/h10-11,13H,5-9,12H2,1-4H3,(H2,22,23,24,25)


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