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

Systemtic Name: (5S)-4-azanyl-3-(2-hydroxyethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(2-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

Isomeric SMILES

COC1=CC=CC=C1[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

InChI

InChI=1S/C20H19N3O4/c1-26-15-5-3-2-4-13(15)17-14-7-6-12(25)10-16(14)27-20-18(17)19(21)23(8-9-24)11-22-20/h2-7,10-11,17,21,24-25H,8-9H2,1H3/p+1/t17-/m0/s1