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

Systemtic Name: (5S)-4-azanyl-3-(3-imidazol-1-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(3-imidazol-1-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-[3-(1-imidazolyl)propyl]-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(3-imidazol-1-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(3-imidazol-1-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C23H22N5O2+ MolecularWeight: 400.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCN5C=CN=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c24-22-21-20(16-5-2-1-3-6-16)18-8-7-17(29)13-19(18)30-23(21)26-15-28(22)11-4-10-27-12-9-25-14-27/h1-3,5-9,12-15,20,24,29H,4,10-11H2/p+1/t20-/m0/s1