ethyl 6-methyl-4-oxidanylidene-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-2-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-2-[[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]methyl]-6-methyl-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N5O5+ MolecularWeight: 432.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)CN3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)CN3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C21H29N5O5/c1-3-30-21(29)17-14(2)31-20-18(17)19(28)22-15(23-20)12-24-8-10-25(11-9-24)13-16(27)26-6-4-5-7-26/h3-13H2,1-2H3,(H,22,23,28)/p+1