1,6-bis(furan-2-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 1,6-bis(furan-2-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1,6-bis(2-furylmethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1,6-bis(2-furanylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1,6-bis(furan-2-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1,6-bis(2-furfuryl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C16H17N4O3S+ MolecularWeight: 345.39618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=S)NC2=O)CC4=CC=CO4

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=S)NC2=O)CC4=CC=CO4

InChI

InChI=1S/C16H16N4O3S/c21-15-13-9-19(7-11-3-1-5-22-11)10-17-14(13)20(16(24)18-15)8-12-4-2-6-23-12/h1-6,17H,7-10H2,(H,18,21,24)/p+1