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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CC=C4OC)C=CC(=C3)O)N

Isomeric SMILES

CC(C)C[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CC=C4OC)C=CC(=C3)O)N

InChI

InChI=1S/C22H23N3O3/c1-13(2)11-25-12-24-22-20(21(25)23)19(15-6-4-5-7-17(15)27-3)16-9-8-14(26)10-18(16)28-22/h4-10,12-13,19,23,26H,11H2,1-3H3/p+1/t19-/m0/s1