(5S)-4-azanyl-5-(furan-2-yl)-3-(phenylmethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol

Systemtic Name: (5S)-4-azanyl-5-(furan-2-yl)-3-(phenylmethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-benzyl-5-(2-furyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(2-furanyl)-3-(phenylmethyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-benzyl-5-(furan-2-yl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-benzyl-5-(2-furyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C22H18N3O3+ MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C3=C(N=C2)OC4=C(C3C5=CC=CO5)C=CC(=C4)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C3=C(N=C2)OC4=C([C@@H]3C5=CC=CO5)C=CC(=C4)O)N

InChI

InChI=1S/C22H17N3O3/c23-21-20-19(17-7-4-10-27-17)16-9-8-15(26)11-18(16)28-22(20)24-13-25(21)12-14-5-2-1-3-6-14/h1-11,13,19,23,26H,12H2/p+1/t19-/m1/s1