(5-methyl-1,2-oxazol-3-yl)methyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-(4-amino-5-benzyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-amino-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-benzyl-pyrimidin-2-yl)thio]acetic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)CSC2=NC=C(C(=N2)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)COC(=O)CSC2=NC=C(C(=N2)N)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-12-7-15(22-25-12)10-24-16(23)11-26-18-20-9-14(17(19)21-18)8-13-5-3-2-4-6-13/h2-7,9H,8,10-11H2,1H3,(H2,19,20,21)