2-[[furan-2-ylmethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[[furan-2-ylmethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[(2-anilino-2-oxo-ethyl)-(2-furylmethyl)ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[(2-anilino-2-oxoethyl)-(2-furanylmethyl)ammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[(2-anilino-2-keto-ethyl)-(2-furfuryl)ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=NC4=C(C(=N3)[O-])SC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=NC4=C(C(=N3)[O-])SC=C4

InChI

InChI=1S/C20H18N4O3S/c25-18(21-14-5-2-1-3-6-14)13-24(11-15-7-4-9-27-15)12-17-22-16-8-10-28-19(16)20(26)23-17/h1-10H,11-13H2,(H,21,25)(H,22,23,26)