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

Systemtic Name: 1-(furan-2-ylmethyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(2-furylmethyl)-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(2-furanylmethyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(furan-2-ylmethyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(2-furfuryl)-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CC3=CC=CO3

Isomeric SMILES

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CC3=CC=CO3

InChI

InChI=1S/C14H18N4O2S/c1-2-5-17-8-11-12(15-9-17)18(14(21)16-13(11)19)7-10-4-3-6-20-10/h3-4,6,15H,2,5,7-9H2,1H3,(H,16,19,21)/p+1