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

Systemtic Name: (5S)-4-azanyl-3-(2-diethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=C(C=C4)OC)C=CC(=C3)O)N

Isomeric SMILES

CCN(CC)CC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=C(C=C4)OC)C=CC(=C3)O)N

InChI

InChI=1S/C24H28N4O3/c1-4-27(5-2)12-13-28-15-26-24-22(23(28)25)21(16-6-9-18(30-3)10-7-16)19-11-8-17(29)14-20(19)31-24/h6-11,14-15,21,25,29H,4-5,12-13H2,1-3H3/p+1/t21-/m0/s1