N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidine-5-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-3H-furo[2,3-d]pyrimidine-5-carboxamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)N=CNC2=O)C(=O)NCC(C3=CC(=CC=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C2=C(O1)N=CNC2=O)C(=O)NC[C@@H](C3=CC(=CC=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C21H24N4O4/c1-13-17(18-20(27)23-12-24-21(18)29-13)19(26)22-11-16(25-8-3-4-9-25)14-6-5-7-15(10-14)28-2/h5-7,10,12,16H,3-4,8-9,11H2,1-2H3,(H,22,26)(H,23,24,27)/p+1/t16-/m0/s1