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

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(2-pyridin-3-ylethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[2-(3-pyridyl)ethoxy]pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(3-pyridinyl)ethoxy]-5-pyrimidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-pyridin-3-ylethoxy)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-2-[2-(3-pyridyl)ethoxy]pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C29H29ClN4O6 MolecularWeight: 565.01676

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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)OCCC4=CN=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCCC4=CN=CC=C4)Cl

InChI

InChI=1S/C29H29ClN4O6/c1-36-23-8-7-19(12-22(23)30)16-32-28-21(17-33-29(34-28)40-11-9-18-6-5-10-31-15-18)26(35)20-13-24(37-2)27(39-4)25(14-20)38-3/h5-8,10,12-15,17H,9,11,16H2,1-4H3,(H,32,33,34)