4-(3-methoxyphenyl)sulfanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine dihydrochloride

Systemtic Name: 4-(3-methoxyphenyl)sulfanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine dihydrochloride Openeye Name: 4-(3-methoxyphenyl)sulfanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine dihydrochloride CAS Name: 4-[(3-methoxyphenyl)thio]-N-[3-(1-pyrrolidinylmethyl)phenyl]-2-pyrimidinamine dihydrochloride IUPAC Name: 4-(3-methoxyphenyl)sulfanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine dihydrochloride Traditional Name: [4-[(3-methoxyphenyl)thio]pyrimidin-2-yl]-[3-(pyrrolidinomethyl)phenyl]amine dihydrochloride Formula: C22H26Cl2N4OS MolecularWeight: 465.43904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC=CC(=C3)CN4CCCC4.Cl.Cl

Isomeric SMILES

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC=CC(=C3)CN4CCCC4.Cl.Cl

InChI

InChI=1S/C22H24N4OS.2ClH/c1-27-19-8-5-9-20(15-19)28-21-10-11-23-22(25-21)24-18-7-4-6-17(14-18)16-26-12-2-3-13-26;;/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,23,24,25);2*1H