2-(6-azanylpyridin-3-yl)sulfanyl-6-(2-dimethylaminoethyloxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Systemtic Name: 2-(6-azanylpyridin-3-yl)sulfanyl-6-(2-dimethylaminoethyloxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 2-[(6-amino-3-pyridyl)sulfanyl]-6-(2-dimethylaminoethyloxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 2-[(6-amino-3-pyridinyl)thio]-6-(2-dimethylaminoethyloxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 2-(6-aminopyridin-3-yl)sulfanyl-6-(2-dimethylaminoethyloxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: 2-[[2-[(6-amino-3-pyridyl)thio]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methoxy]ethyl-dimethyl-amine Formula: C18H24N8OS MolecularWeight: 400.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)COCCN(C)C)SC3=CN=C(C=C3)N

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)COCCN(C)C)SC3=CN=C(C=C3)N

InChI

InChI=1S/C18H24N8OS/c1-12-8-17(25-24-12)22-16-9-13(11-27-7-6-26(2)3)21-18(23-16)28-14-4-5-15(19)20-10-14/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20)(H2,21,22,23,24,25)