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

Systemtic Name: (5S)-4-azanyl-5-(furan-2-yl)-3-(3-oxidanylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-5-(2-furyl)-3-(3-hydroxypropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(2-furanyl)-3-(3-hydroxypropyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-5-(furan-2-yl)-3-(3-hydroxypropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-5-(2-furyl)-3-(3-hydroxypropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C18H18N3O4+ MolecularWeight: 340.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCO)N

Isomeric SMILES

C1=COC(=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCO)N

InChI

InChI=1S/C18H17N3O4/c19-17-16-15(13-3-1-8-24-13)12-5-4-11(23)9-14(12)25-18(16)20-10-21(17)6-2-7-22/h1,3-5,8-10,15,19,22-23H,2,6-7H2/p+1/t15-/m1/s1