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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propylammonium CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Traditional Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propylammonium Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCC[NH3+])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCC[NH3+])C)C

InChI

InChI=1S/C18H22N4S/c1-11-5-6-14(9-12(11)2)15-13(3)23-18-16(15)17(21-10-22-18)20-8-4-7-19/h5-6,9-10H,4,7-8,19H2,1-3H3,(H,20,21,22)/p+1