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

Systemtic Name: (5S)-4-azanyl-5-(4-methylphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-isobutyl-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(4-methylphenyl)-3-(2-methylpropyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-5-(4-methylphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-isobutyl-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC(C)C)N

InChI

InChI=1S/C22H23N3O2/c1-13(2)11-25-12-24-22-20(21(25)23)19(15-6-4-14(3)5-7-15)17-9-8-16(26)10-18(17)27-22/h4-10,12-13,19,23,26H,11H2,1-3H3/p+1/t19-/m0/s1