[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium

Systemtic Name: [5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Openeye Name: [5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium CAS Name: [5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium IUPAC Name: [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Traditional Name: [5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C24H27N3O2S/c1-4-6-16-8-10-17(11-9-16)22(15(2)3)25-13-20-26-23(28)21-18(14-30-24(21)27-20)19-7-5-12-29-19/h5,7-12,14-15,22,25H,4,6,13H2,1-3H3,(H,26,27,28)/p+1/t22-/m0/s1