4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-(methylthio)-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-methylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-methoxy-2-(methylthio)-N-(2-pyrimidylmethyl)pyrimidine-5-carboxamide Formula: C20H21ClN6O3S MolecularWeight: 460.93714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)OC)C(=O)NCC3=NC=CC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)OC)C(=O)NCC3=NC=CC=N3)Cl

InChI

InChI=1S/C20H21ClN6O3S/c1-29-14-6-5-12(9-13(14)21)10-24-17-16(19(30-2)27-20(26-17)31-3)18(28)25-11-15-22-7-4-8-23-15/h4-9H,10-11H2,1-3H3,(H,25,28)(H,24,26,27)