1-[4-(2-azanylpyrimidin-4-yl)phenyl]ethyl 2-methylbenzenesulfonate

Systemtic Name: 1-[4-(2-azanylpyrimidin-4-yl)phenyl]ethyl 2-methylbenzenesulfonate Openeye Name: 1-[4-(2-aminopyrimidin-4-yl)phenyl]ethyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid 1-[4-(2-amino-4-pyrimidinyl)phenyl]ethyl ester IUPAC Name: 1-[4-(2-aminopyrimidin-4-yl)phenyl]ethyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 1-[4-(2-aminopyrimidin-4-yl)phenyl]ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC(C)C2=CC=C(C=C2)C3=NC(=NC=C3)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC(C)C2=CC=C(C=C2)C3=NC(=NC=C3)N

InChI

InChI=1S/C19H19N3O3S/c1-13-5-3-4-6-18(13)26(23,24)25-14(2)15-7-9-16(10-8-15)17-11-12-21-19(20)22-17/h3-12,14H,1-2H3,(H2,20,21,22)