6-cyclopentyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 6-cyclopentyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclopentyl-1-(2-furylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclopentyl-1-(2-furanylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclopentyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclopentyl-1-(2-furfuryl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CC=CO4

Isomeric SMILES

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CC=CO4

InChI

InChI=1S/C16H20N4O3/c21-15-13-9-19(11-4-1-2-5-11)10-17-14(13)20(16(22)18-15)8-12-6-3-7-23-12/h3,6-7,11,17H,1-2,4-5,8-10H2,(H,18,21,22)/p+1