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

Systemtic Name: (4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(4-amino-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (4-amino-6-ethoxycarbonyl-5-methyl-2-thieno[2,3-d]pyrimidinyl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: (4-amino-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(4-amino-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-5-11-29-16-9-7-15(8-10-16)12-26(4)13-17-24-20(23)18-14(3)19(22(27)28-6-2)30-21(18)25-17/h5,7-10H,1,6,11-13H2,2-4H3,(H2,23,24,25)/p+1