[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyrimidin-2-ylmethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyrimidin-2-ylmethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(pyrimidin-2-ylmethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-pyrimidinylmethoxy)-5-pyrimidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(pyrimidin-2-ylmethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-pyrimidylmethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C27H26ClN5O6 MolecularWeight: 551.97824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCC4=NC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCC4=NC=CC=N4)Cl

InChI

InChI=1S/C27H26ClN5O6/c1-35-20-7-6-16(10-19(20)28)13-31-26-18(14-32-27(33-26)39-15-23-29-8-5-9-30-23)24(34)17-11-21(36-2)25(38-4)22(12-17)37-3/h5-12,14H,13,15H2,1-4H3,(H,31,32,33)