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

Systemtic Name: (5S)-4-azanyl-5-(furan-2-yl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-5-(2-furyl)-3-isobutyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(2-furanyl)-3-(2-methylpropyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-5-(furan-2-yl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-5-(2-furyl)-3-isobutyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CO4)C=CC(=C3)O)N

Isomeric SMILES

CC(C)C[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CO4)C=CC(=C3)O)N

InChI

InChI=1S/C19H19N3O3/c1-11(2)9-22-10-21-19-17(18(22)20)16(14-4-3-7-24-14)13-6-5-12(23)8-15(13)25-19/h3-8,10-11,16,20,23H,9H2,1-2H3/p+1/t16-/m1/s1