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

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(2-pyridylmethylamino)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-pyridinylmethylamino)-5-pyrimidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-pyridylmethylamino)pyrimidin-5-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C28H28ClN5O5 MolecularWeight: 550.00542

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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)NCC4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C28H28ClN5O5/c1-36-22-9-8-17(11-21(22)29)14-31-27-20(16-33-28(34-27)32-15-19-7-5-6-10-30-19)25(35)18-12-23(37-2)26(39-4)24(13-18)38-3/h5-13,16H,14-15H2,1-4H3,(H2,31,32,33,34)