cyclobutyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: cyclobutyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: cyclobutyl 2-(4-amino-5-benzyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-amino-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid cyclobutyl ester IUPAC Name: cyclobutyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-benzyl-pyrimidin-2-yl)thio]acetic acid cyclobutyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)OC(=O)CSC2=NC=C(C(=N2)N)CC3=CC=CC=C3

Isomeric SMILES

C1CC(C1)OC(=O)CSC2=NC=C(C(=N2)N)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S/c18-16-13(9-12-5-2-1-3-6-12)10-19-17(20-16)23-11-15(21)22-14-7-4-8-14/h1-3,5-6,10,14H,4,7-9,11H2,(H2,18,19,20)