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

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Openeye Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C23H29N3O3S/c1-6-7-15-8-10-16(11-9-15)19(13(2)3)24-12-17-25-21(27)18-14(4)20(23(28)29-5)30-22(18)26-17/h8-11,13,19,24H,6-7,12H2,1-5H3,(H,25,26,27)/p+1/t19-/m0/s1