[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-5-thiophen-2-yl-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-5-thiophen-2-yl-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-[4-amino-2-oxo-5-(2-thienyl)pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-5-(4-amino-2-oxo-5-thiophen-2-yl-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxo-5-thiophen-2-ylpyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[4-amino-2-keto-5-(2-thienyl)pyrimidin-1-yl]-2-methylol-tetrahydrofuran-3-yl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CC(OC2CO)N3C=C(C(=NC3=O)N)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C(=NC3=O)N)C4=CC=CS4

InChI

InChI=1S/C21H21N3O5S/c1-12-4-6-13(7-5-12)20(26)29-15-9-18(28-16(15)11-25)24-10-14(17-3-2-8-30-17)19(22)23-21(24)27/h2-8,10,15-16,18,25H,9,11H2,1H3,(H2,22,23,27)/t15-,16+,18+/m0/s1