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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Openeye Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propylammonium CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Traditional Name: 3-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCC[NH3+])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCC[NH3+])C

InChI

InChI=1S/C18H22N4OS/c1-3-23-14-7-5-13(6-8-14)15-12(2)24-18-16(15)17(21-11-22-18)20-10-4-9-19/h5-8,11H,3-4,9-10,19H2,1-2H3,(H,20,21,22)/p+1