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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C[NH+](CN2)CC3=CC=CO3)C(=O)NC1=S

Isomeric SMILES

C=CCN1C2=C(C[NH+](CN2)CC3=CC=CO3)C(=O)NC1=S

InChI

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