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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-6-(2-furylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-[(2-chlorophenyl)methyl]-6-(2-furanylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-(2-chlorobenzyl)-6-(2-furfuryl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H18ClN4O3+ MolecularWeight: 373.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=O)NC2=O)CC4=CC=CC=C4Cl

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=O)NC2=O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C18H17ClN4O3/c19-15-6-2-1-4-12(15)8-23-16-14(17(24)21-18(23)25)10-22(11-20-16)9-13-5-3-7-26-13/h1-7,20H,8-11H2,(H,21,24,25)/p+1