(4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2,4-dimethylphenyl)methyl]-methyl-azanium

Systemtic Name: (4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: (4-amino-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: (4-amino-6-ethoxycarbonyl-5-methyl-2-thieno[2,3-d]pyrimidinyl)methyl-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: (4-amino-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-2-yl)methyl-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: (4-amino-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+](C)CC3=C(C=C(C=C3)C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+](C)CC3=C(C=C(C=C3)C)C)N)C

InChI

InChI=1S/C21H26N4O2S/c1-6-27-21(26)18-14(4)17-19(22)23-16(24-20(17)28-18)11-25(5)10-15-8-7-12(2)9-13(15)3/h7-9H,6,10-11H2,1-5H3,(H2,22,23,24)/p+1