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

Systemtic Name: (5S)-4-azanyl-3-(2-dimethylaminoethyl)-5-(furan-2-yl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(2-furyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(2-furanyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(furan-2-yl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(2-furyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C19H21N4O3+ MolecularWeight: 353.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CO4)C=CC(=C3)O)N

Isomeric SMILES

CN(C)CC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CO4)C=CC(=C3)O)N

InChI

InChI=1S/C19H20N4O3/c1-22(2)7-8-23-11-21-19-17(18(23)20)16(14-4-3-9-25-14)13-6-5-12(24)10-15(13)26-19/h3-6,9-11,16,20,24H,7-8H2,1-2H3/p+1/t16-/m1/s1