(5S)-4-azanyl-5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol

Systemtic Name: (5S)-4-azanyl-5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-5-(2-furyl)-3-(3-imidazol-1-ylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(2-furanyl)-3-[3-(1-imidazolyl)propyl]-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-5-(2-furyl)-3-(3-imidazol-1-ylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C21H20N5O3+ MolecularWeight: 390.4152

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)CCCN5C=CN=C5)N

Isomeric SMILES

C1=COC(=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCN5C=CN=C5)N

InChI

InChI=1S/C21H19N5O3/c22-20-19-18(16-3-1-10-28-16)15-5-4-14(27)11-17(15)29-21(19)24-13-26(20)8-2-7-25-9-6-23-12-25/h1,3-6,9-13,18,22,27H,2,7-8H2/p+1/t18-/m1/s1