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

Systemtic Name: cyclobutylmethyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: cyclobutylmethyl 2-(4-amino-5-benzyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-amino-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid cyclobutylmethyl ester IUPAC Name: cyclobutylmethyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-benzyl-pyrimidin-2-yl)thio]acetic acid cyclobutylmethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c19-17-15(9-13-5-2-1-3-6-13)10-20-18(21-17)24-12-16(22)23-11-14-7-4-8-14/h1-3,5-6,10,14H,4,7-9,11-12H2,(H2,19,20,21)