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

Systemtic Name: 1-(furan-2-ylmethyl)-6-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-allyl-1-(2-furylmethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(2-furanylmethyl)-6-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(furan-2-ylmethyl)-6-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-allyl-1-(2-furfuryl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C14H17N4O2S+ MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-2-5-17-8-11-12(15-9-17)18(14(21)16-13(11)19)7-10-4-3-6-20-10/h2-4,6,15H,1,5,7-9H2,(H,16,19,21)/p+1