N-[3,5-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(3-methoxyphenyl)sulfanyl-pyrimidin-2-amine dihydrochloride

Systemtic Name: N-[3,5-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(3-methoxyphenyl)sulfanyl-pyrimidin-2-amine dihydrochloride Openeye Name: N-[3,5-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(3-methoxyphenyl)sulfanyl-pyrimidin-2-amine dihydrochloride CAS Name: N-[3,5-dimethoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-4-[(3-methoxyphenyl)thio]-2-pyrimidinamine dihydrochloride IUPAC Name: N-[3,5-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(3-methoxyphenyl)sulfanylpyrimidin-2-amine dihydrochloride Traditional Name: [3,5-dimethoxy-4-(2-pyrrolidinoethoxy)phenyl]-[4-[(3-methoxyphenyl)thio]pyrimidin-2-yl]amine dihydrochloride Formula: C25H32Cl2N4O4S MolecularWeight: 555.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC(=C(C(=C3)OC)OCCN4CCCC4)OC.Cl.Cl

Isomeric SMILES

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC(=C(C(=C3)OC)OCCN4CCCC4)OC.Cl.Cl

InChI

InChI=1S/C25H30N4O4S.2ClH/c1-30-19-7-6-8-20(17-19)34-23-9-10-26-25(28-23)27-18-15-21(31-2)24(22(16-18)32-3)33-14-13-29-11-4-5-12-29;;/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,26,27,28);2*1H