(4S,5R)-8-(furan-2-ylmethylamino)-1,3-dimethyl-7-phenethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione

Systemtic Name: (4S,5R)-8-(furan-2-ylmethylamino)-1,3-dimethyl-7-phenethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione Openeye Name: (4S,5R)-8-(2-furylmethylamino)-1,3-dimethyl-7-phenethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione CAS Name: (4S,5R)-8-(2-furanylmethylamino)-1,3-dimethyl-7-phenethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione IUPAC Name: (4S,5R)-8-(furan-2-ylmethylamino)-1,3-dimethyl-7-phenethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione Traditional Name: (4S,5R)-8-(2-furfurylamino)-1,3-dimethyl-7-phenethyl-5,9-dihydro-4H-purin-7-ium-2,6-quinone Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)[N+](=C(N2)NCC3=CC=CO3)CCC4=CC=CC=C4

Isomeric SMILES

CN1[C@H]2[C@H](C(=O)N(C1=O)C)[N+](=C(N2)NCC3=CC=CO3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O3/c1-23-17-16(18(26)24(2)20(23)27)25(11-10-14-7-4-3-5-8-14)19(22-17)21-13-15-9-6-12-28-15/h3-9,12,16-17H,10-11,13H2,1-2H3,(H,21,22)/p+1/t16-,17+/m1/s1