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

Systemtic Name: prop-2-enyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: allyl 2-(4-amino-5-benzyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-amino-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-benzyl-pyrimidin-2-yl)thio]acetic acid allyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-2-8-21-14(20)11-22-16-18-10-13(15(17)19-16)9-12-6-4-3-5-7-12/h2-7,10H,1,8-9,11H2,(H2,17,18,19)