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

Systemtic Name: (5S)-4-azanyl-3-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-furylmethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-furanylmethyl)-5-(2-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-furfuryl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C23H20N3O4+ MolecularWeight: 402.4226

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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)CC5=CC=CO5)N

Isomeric SMILES

COC1=CC=CC=C1[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC5=CC=CO5)N

InChI

InChI=1S/C23H19N3O4/c1-28-18-7-3-2-6-16(18)20-17-9-8-14(27)11-19(17)30-23-21(20)22(24)26(13-25-23)12-15-5-4-10-29-15/h2-11,13,20,24,27H,12H2,1H3/p+1/t20-/m0/s1