(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrazine-2-carboxylate

Systemtic Name: (4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrazine-2-carboxylate Openeye Name: (4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)COC(=O)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)COC(=O)C4=NC=CN=C4

InChI

InChI=1S/C18H12N4O3S/c23-16-12-8-14(11-4-2-1-3-5-11)26-17(12)22-15(21-16)10-25-18(24)13-9-19-6-7-20-13/h1-9H,10H2,(H,21,22,23)