methyl 4-[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 4-[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylbenzoate Openeye Name: methyl 4-[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylbenzoate CAS Name: 4-[[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylbenzoate Traditional Name: 4-[[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]benzoic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)COC)SC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)COC)SC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H19N5O3S/c1-11-8-16(23-22-11)20-15-9-13(10-25-2)19-18(21-15)27-14-6-4-12(5-7-14)17(24)26-3/h4-9H,10H2,1-3H3,(H2,19,20,21,22,23)