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1-adamantylmethyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

1-adamantylmethyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name:1-adamantylmethyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium
Openeye Name:1-adamantylmethyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium
CAS Name:1-adamantylmethyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium
IUPAC Name:1-adamantylmethyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium
Traditional Name:1-adamantylmethyl-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium
Formula: C24H28N3OS+
MolecularWeight: 406.56362
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4


InChI

InChI=1S/C24H27N3OS/c28-22-19-9-20(18-4-2-1-3-5-18)29-23(19)27-21(26-22)13-25-14-24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17,25H,6-8,10-14H2,(H,26,27,28)/p+1


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