(5R)-4-azanyl-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol

Systemtic Name: (5R)-4-azanyl-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5R)-4-amino-3-isobutyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5R)-4-amino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5R)-4-amino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5R)-4-amino-3-isobutyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C22H24N3O3+ MolecularWeight: 378.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=C(C=C4)OC)C=CC(=C3)O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-13(2)11-25-12-24-22-20(21(25)23)19(14-4-7-16(27-3)8-5-14)17-9-6-15(26)10-18(17)28-22/h4-10,12-13,19,23,26H,11H2,1-3H3/p+1/t19-/m1/s1