[3-[(5-chloranyl-2,6-dimethyl-pyrimidin-4-yl)methyl]-4-(4-pyrimidin-2-ylsulfanylbutoxy)pyridin-2-yl]methanamine

Systemtic Name: [3-[(5-chloranyl-2,6-dimethyl-pyrimidin-4-yl)methyl]-4-(4-pyrimidin-2-ylsulfanylbutoxy)pyridin-2-yl]methanamine Openeye Name: [3-[(5-chloro-2,6-dimethyl-pyrimidin-4-yl)methyl]-4-(4-pyrimidin-2-ylsulfanylbutoxy)-2-pyridyl]methanamine CAS Name: [3-[(5-chloro-2,6-dimethyl-4-pyrimidinyl)methyl]-4-[4-(2-pyrimidinylthio)butoxy]-2-pyridinyl]methanamine IUPAC Name: [3-[(5-chloro-2,6-dimethylpyrimidin-4-yl)methyl]-4-(4-pyrimidin-2-ylsulfanylbutoxy)pyridin-2-yl]methanamine Traditional Name: [3-[(5-chloro-2,6-dimethyl-pyrimidin-4-yl)methyl]-4-[4-(2-pyrimidylthio)butoxy]-2-pyridyl]methylamine Formula: C21H25ClN6OS MolecularWeight: 444.9808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)CC2=C(C=CN=C2CN)OCCCCSC3=NC=CC=N3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)CC2=C(C=CN=C2CN)OCCCCSC3=NC=CC=N3)Cl

InChI

InChI=1S/C21H25ClN6OS/c1-14-20(22)17(28-15(2)27-14)12-16-18(13-23)24-9-6-19(16)29-10-3-4-11-30-21-25-7-5-8-26-21/h5-9H,3-4,10-13,23H2,1-2H3