5-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-6-methyl-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-6-methyl-1H-pyrimidine-2,4-dione Openeye Name: 5-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-6-methyl-1H-pyrimidine-2,4-dione CAS Name: 5-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione IUPAC Name: 5-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione Traditional Name: 5-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-6-methyl-uracil Formula: C21H27N4O4+ MolecularWeight: 399.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H26N4O4/c1-14-17(20(27)23-21(28)22-14)3-5-19(26)25-9-7-24(8-10-25)13-15-2-4-18-16(12-15)6-11-29-18/h2,4,12H,3,5-11,13H2,1H3,(H2,22,23,27,28)/p+1