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

Systemtic Name: 4-azanyl-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-phenyl-2-thioxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-phenyl-2-sulfanylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-phenyl-2-sulfanylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-phenyl-2-thioxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]pyrimidine-5-carbonitrile Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=S)N2C3C(C(C(C(O3)CO)O)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]([C@H](O3)CO)O)O)O)N)C#N

InChI

InChI=1S/C17H18N4O5S/c18-6-9-11(8-4-2-1-3-5-8)21(17(27)20-15(9)19)16-14(25)13(24)12(23)10(7-22)26-16/h1-5,10,12-14,16,22-25H,7H2,(H2,19,20,27)/t10-,12-,13+,14-,16-/m1/s1