3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylamino]propan-1-ol

Systemtic Name: 3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylamino]propan-1-ol Openeye Name: 3-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylamino]propan-1-ol CAS Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylamino]-1-propanol IUPAC Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylamino]propan-1-ol Traditional Name: 3-[[4-[(3-chloro-4-methoxy-benzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylamino]propan-1-ol Formula: C22H27ClN4O2S MolecularWeight: 446.99338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O2S/c1-29-17-8-7-14(11-16(17)23)12-25-21-20-15-5-2-3-6-18(15)30-22(20)27-19(26-21)13-24-9-4-10-28/h7-8,11,24,28H,2-6,9-10,12-13H2,1H3,(H,25,26,27)