2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl-2-thiophenyl]ethyl ester IUPAC Name: 2-[4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(C(=CS2)CC3=CN=C(N=C3N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(C(=CS2)CC3=CN=C(N=C3N)C)C

InChI

InChI=1S/C20H23N3O3S2/c1-13-4-6-18(7-5-13)28(24,25)26-9-8-19-14(2)17(12-27-19)10-16-11-22-15(3)23-20(16)21/h4-7,11-12H,8-10H2,1-3H3,(H2,21,22,23)