N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-(chloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-(chloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-2-(chloromethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-(chloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-(chloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[2-(chloromethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C19H19Cl2N3OS MolecularWeight: 408.34466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CCl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CCl)Cl

InChI

InChI=1S/C19H19Cl2N3OS/c1-25-14-7-6-11(8-13(14)21)10-22-18-17-12-4-2-3-5-15(12)26-19(17)24-16(9-20)23-18/h6-8H,2-5,9-10H2,1H3,(H,22,23,24)