2-[3-[(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)methylamino]propylamino]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[3-[(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)methylamino]propylamino]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[3-[(3-bromo-5-chloro-2-ethoxy-phenyl)methylamino]propylamino]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[3-[(3-bromo-5-chloro-2-ethoxyphenyl)methylamino]propylamino]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[3-[(3-bromo-5-chloro-2-ethoxyphenyl)methylamino]propylamino]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[3-[(3-bromo-5-chloro-2-ethoxy-benzyl)amino]propylamino]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H20BrClN4O2S MolecularWeight: 471.799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNCCCNC2=NC(=O)C3=C(N2)C=CS3)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNCCCNC2=NC(=O)C3=C(N2)C=CS3)Cl)Br

InChI

InChI=1S/C18H20BrClN4O2S/c1-2-26-15-11(8-12(20)9-13(15)19)10-21-5-3-6-22-18-23-14-4-7-27-16(14)17(25)24-18/h4,7-9,21H,2-3,5-6,10H2,1H3,(H2,22,23,24,25)