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

Systemtic Name: (5S)-4-azanyl-5-(furan-2-yl)-3-(2-hydroxyethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-5-(2-furyl)-3-(2-hydroxyethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(2-furanyl)-3-(2-hydroxyethyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-5-(furan-2-yl)-3-(2-hydroxyethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-5-(2-furyl)-3-(2-hydroxyethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C17H16N3O4+ MolecularWeight: 326.32664

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c18-16-15-14(12-2-1-7-23-12)11-4-3-10(22)8-13(11)24-17(15)19-9-20(16)5-6-21/h1-4,7-9,14,18,21-22H,5-6H2/p+1/t14-/m1/s1