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

Systemtic Name: (5S)-4-azanyl-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-isobutyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-methylpropyl)-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-isobutyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C21H22N3O2+ MolecularWeight: 348.41828

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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=C4)C=CC(=C3)O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-13(2)11-24-12-23-21-19(20(24)22)18(14-6-4-3-5-7-14)16-9-8-15(25)10-17(16)26-21/h3-10,12-13,18,22,25H,11H2,1-2H3/p+1/t18-/m0/s1