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

Systemtic Name: (5S)-4-azanyl-5-(4-methoxyphenyl)-3-(phenylmethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-benzyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-5-(4-methoxyphenyl)-3-(phenylmethyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-benzyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-benzyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C25H22N3O3+ MolecularWeight: 412.46048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC5=CC=CC=C5)N

InChI

InChI=1S/C25H21N3O3/c1-30-19-10-7-17(8-11-19)22-20-12-9-18(29)13-21(20)31-25-23(22)24(26)28(15-27-25)14-16-5-3-2-4-6-16/h2-13,15,22,26,29H,14H2,1H3/p+1/t22-/m0/s1