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

Systemtic Name: ethyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-(4-amino-5-benzyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-amino-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-benzyl-pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=CC=C2

InChI

InChI=1S/C15H17N3O2S/c1-2-20-13(19)10-21-15-17-9-12(14(16)18-15)8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,16,17,18)