2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethylazanium

Systemtic Name: 2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethylazanium Openeye Name: 2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethylammonium CAS Name: 2-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]ethylammonium IUPAC Name: 2-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]ethylazanium Traditional Name: 2-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethylammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH3+])C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH3+])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-12-14-16(20-9-8-19)21-11-22-17(14)25-15(12)18(23)24-10-7-13-5-3-2-4-6-13/h2-6,11H,7-10,19H2,1H3,(H,20,21,22)/p+1