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

Systemtic Name: 1-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]piperidin-4-ol Openeye Name: 1-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methyl]piperidin-4-ol CAS Name: 1-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]-4-piperidinol IUPAC Name: 1-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]piperidin-4-ol Traditional Name: 1-[[4-[(3-chloro-4-methoxy-benzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methyl]piperidin-4-ol Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCC(CC5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCC(CC5)O)Cl

InChI

InChI=1S/C24H29ClN4O2S/c1-31-19-7-6-15(12-18(19)25)13-26-23-22-17-4-2-3-5-20(17)32-24(22)28-21(27-23)14-29-10-8-16(30)9-11-29/h6-7,12,16,30H,2-5,8-11,13-14H2,1H3,(H,26,27,28)