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

Systemtic Name: (5S)-4-azanyl-3-(furan-2-ylmethyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-furylmethyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-furanylmethyl)-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(furan-2-ylmethyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-furfuryl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C23H20N3O3+ MolecularWeight: 386.4232

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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)CC5=CC=CO5)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC5=CC=CO5)N

InChI

InChI=1S/C23H19N3O3/c1-14-4-6-15(7-5-14)20-18-9-8-16(27)11-19(18)29-23-21(20)22(24)26(13-25-23)12-17-3-2-10-28-17/h2-11,13,20,24,27H,12H2,1H3/p+1/t20-/m0/s1