4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-phenyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-phenyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-phenyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=S)N2C3C(C(C(O3)CO)O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=S)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N

InChI

InChI=1S/C16H16N4O4S/c17-6-9-11(8-4-2-1-3-5-8)20(16(25)19-14(9)18)15-13(23)12(22)10(7-21)24-15/h1-5,10,12-13,15,21-23H,7H2,(H2,18,19,25)/t10-,12-,13-,15-/m1/s1