2-[[5-(4-chloranyl-3-methyl-phenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]amino]ethylazanium

Systemtic Name: 2-[[5-(4-chloranyl-3-methyl-phenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]amino]ethylazanium Openeye Name: 2-[[5-(4-chloro-3-methyl-phenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]amino]ethylammonium CAS Name: 2-[[5-(4-chloro-3-methylphenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]amino]ethylammonium IUPAC Name: 2-[[5-(4-chloro-3-methylphenyl)-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]amino]ethylazanium Traditional Name: 2-[[5-(4-chloro-3-methyl-phenyl)-4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl]amino]ethylammonium Formula: C16H18ClN4OS+ MolecularWeight: 349.85832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)N(C(=N3)NCC[NH3+])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)N(C(=N3)NCC[NH3+])C)Cl

InChI

InChI=1S/C16H17ClN4OS/c1-9-7-10(3-4-12(9)17)11-8-23-14-13(11)15(22)21(2)16(20-14)19-6-5-18/h3-4,7-8H,5-6,18H2,1-2H3,(H,19,20)/p+1