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

Systemtic Name: (5S)-4-azanyl-3-(2-diethylaminoethyl)-5-(furan-2-yl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(2-furyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(2-furanyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(furan-2-yl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-diethylaminoethyl)-5-(2-furyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CO4)C=CC(=C3)O)N

Isomeric SMILES

CCN(CC)CC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CO4)C=CC(=C3)O)N

InChI

InChI=1S/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/p+1/t18-/m1/s1